Person Image

    Education

    • Dr.rer.nat. (Physical Chemistry ), Universitat Inusbruck, Austria, 2534
    • วท.ม. (เคมีเชิงฟิสิกส์), จุฬาลงกรณ์มหาวิทยาลัย , ไทย, 2531
    • วท.บ. (เคมี ), จุฬาลงกรณ์มหาวิทยาลัย , ไทย, 2529

    Interest

    เคมีเชิงฟิสิกส์ เคมีคอมพิวเตอร์ Physical Chemistry, Computational Chemistry

    Administrative Profile

    • ก.พ. 2557 - ก.พ. 2561 คณบดี คณะวิทยาศาสตร์
    • พ.ค. 2553 - ก.พ. 2557 หัวหน้าภาควิชาเคมี คณะวิทยาศาสตร์
    • มิ.ย. 2549 - พ.ค. 2553 รองหัวหน้าภาควิชาเคมี คณะวิทยาศาสตร์

    Resource

    • จำนวนหน่วยปฏิบัติการที่เข้าร่วม 1 หน่วย (หัวหน้าหน่วย 0 หน่วย, สมาชิก 1 หน่วย) ดังนี้คือ
    • จำนวนพื้นที่วิจัย 0.00 ตารางเมตร
    • จำนวนเครื่องมือวิจัย 0 ชิ้น

    งานวิจัยในรอบ 5 ปี

    Project

    งานวิจัยที่อยู่ระหว่างการดำเนินการ
    • ทุนใน 21 โครงการ (หัวหน้าโครงการ 1 โครงการ, ที่ปรึกษาโครงการ 8 โครงการ, ผู้ร่วมวิจัย 12 โครงการ)
    • ทุนนอก 0 โครงการ
    งานวิจัยที่เสร็จสิ้นแล้ว
    • ทุนใน 29 โครงการ (หัวหน้าโครงการ 3 โครงการ, ที่ปรึกษาโครงการ 17 โครงการ, ผู้ร่วมวิจัย 9 โครงการ)
    • ทุนนอก 30 โครงการ (หัวหน้าโครงการ 17 โครงการ, ที่ปรึกษาโครงการ 6 โครงการ, ผู้ร่วมวิจัย 6 โครงการ, อื่นๆ 1 โครงการ)

    แนวโน้มผลงานทั้งหมดเทียบกับแนวโน้มผลงานในรอบ 5 ปี

    Output

    • บทความ 319 เรื่อง (ตีพิมพ์ในวารสารวิชาการ 192 เรื่อง, นำเสนอในการประชุม/สัมมนา 127 เรื่อง)
    • ทรัพย์สินทางปัญญา 1 เรื่อง (ลิขสิทธิ์ 0 เรื่อง, เครื่องหมายการค้า 0 เรื่อง, อนุสิทธิบัตร 0 เรื่อง, สิทธิบัตร 1 เรื่อง)
    • สิ่งประดิษฐ์ 0 เรื่อง (ขึ้นทะเบียนพันธุ์พืช หรือพันธุ์สัตว์ หรือสิ่งประดิษฐ์ มก. 0 เรื่อง)
    • Unknown 6 เรื่อง (Unknown 6 เรื่อง)

    แนวโน้มการนำผลงานไปใช้ประโยชน์ในด้านต่างๆ

    Outcome

    • การนำผลงานไปใช้ประโยชน์ 33 เรื่อง (เชิงวิชาการ 33 เรื่อง, เชิงนโยบาย/บริหาร 0 เรื่อง, เชิงสาธารณะ 0 เรื่อง, เชิงพาณิชย์ 0 เรื่อง)

    รางวัลที่ได้รับ

    Award

    • รางวัลที่ได้รับ 14 เรื่อง (ประกาศเกียรติคุณ/รางวัลนักวิจัย 5 เรื่อง, รางวัลผลงานวิจัย/สิ่งประดิษฐ์ 7 เรื่อง, รางวัลผลงานนำเสนอในการประชุมวิชาการ 2 เรื่อง)

    นักวิจัยที่มีผลงานงานร่วมกันมากที่สุด 10 คนแรก


    Scopus h-index

    #Document titleAuthorsYearSourceCited by
    1In-silico ADME models: A general assessment of their utility in drug discovery applicationsGleeson M., Hersey A., Hannongbua S.2011Current Topics in Medicinal Chemistry
    11(4),pp. 358-381
    143
    2Competitive inhibition of the dengue virus NS3 serine protease by synthetic peptides representing polyprotein cleavage sitesChanprapaph S., Saparpakorn P., Sangma C., Niyomrattanakit P., Hannongbua S., Angsuthanasombat C., Katzenmeier G.2005Biochemical and Biophysical Research Communications
    330(4),pp. 1237-1246
    84
    3The challenges involved in modeling toxicity data in silico: A reviewGleeson M., Modi S., Bender A., Marchese Robinson R., Kirchmair J., Promkatkaew M., Hannongbua S., Glen R.2012Current Pharmaceutical Design
    18(9),pp. 1266-1291
    76
    4Theoretical investigation on nevirapine and HIV-1 reverse transcriptase binding site interaction, based on ONIOM methodKuno M., Hannongbua S., Morokuma K.2003Chemical Physics Letters
    380(3-4),pp. 456-463
    68
    53D-Quantitative Structure-Activity Relationships of HEPT Derivatives as HIV-1 Reverse Transcriptase Inhibitors, Based on Ab Initio CalculationsHannongbua S., Nivesanond K., Lawtrakul L., Pungpo P., Wolschann P.2001Journal of Chemical Information and Computer Sciences
    41(3),pp. 848-855
    67
    6An electrochemical MIP sensor for selective detection of salbutamol based on a graphene/PEDOT:PSS modified screen printed carbon electrodeDechtrirat D., Sookcharoenpinyo B., Prajongtat P., Sriprachuabwong C., Sriprachuabwong C., Sanguankiat A., Tuantranont A., Hannongbua S.2018RSC Advances
    8(1),pp. 206-212
    51
    7A detailed binding free energy study of 2: 1 ligand-DNA complex formation by experiment and simulationTreesuwan W., Wittayanarakul K., Anthony N.G., Huchet G., Alniss H., Hannongbua S., Khalaf A.I., Suckling C.J., Parkinson J.A., MacKay S.P.2009Physical Chemistry Chemical Physics
    11(45),pp. 10682-10693
    50
    8Investigating the structural basis of arylamides to improve potency against M. tuberculosis strain through molecular dynamics simulationsPunkvang A., Saparpakorn P., Hannongbua S., Wolschann P., Beyer A., Pungpo P.2010European Journal of Medicinal Chemistry
    45(12),pp. 5585-5593
    50
    9Binding energy analysis for wild-type and Y181C mutant HIV-1 RT/8-Cl TIBO complex structures: Quantum chemical calculations based on the ONIOM methodSaen-Oon S., Saen-Oon S., Saen-Oon S., Kuno H., Kuno H., Hannongbua S.2005Proteins: Structure, Function and Genetics
    61(4),pp. 859-869
    49
    10Chaetoglobins A and B, two unusual alkaloids from endophytic Chaetomium globosum cultureMing Ge H., Yun Zhang W., Ding G., Saparpakorn P., Chun Song Y., Hannongbua S., Xiang Tan R.2008Chemical Communications
    (45),pp. 5978-5980
    47
    11Complete reaction mechanisms of mercury oxidation on halogenated activated carbonRungnim C., Promarak V., Hannongbua S., Kungwan N., Namuangruk S.2016Journal of Hazardous Materials
    310,pp. 253-260
    47
    12Smart Design on the Cyclometalated Ligands of Iridium(III) Complexes for Facile Tuning of Phosphorescence Color Spanning from Deep-Blue to Near-InfraredChen Z., Wang L., Ho C.L., Chen S., Suramitr S., Plucksacholatarn A., Zhu N., Hannongbua S., Wong W.Y., Wong W.Y.2018Advanced Optical Materials
    6(23)
    45
    13Density functional theory study of adsorption geometries and electronic structures of azo-dye-based molecules on anatase TiO2 surface for dye-sensitized solar cell applicationsPrajongtat P., Suramitr S., Nokbin S., Nakajima K., Mitsuke K., Hannongbua S.2017Journal of Molecular Graphics and Modelling
    76,pp. 551-561
    42
    14Comparative molecular field analysis of HIV-1 reverse transcriptase inhibitors in the class of 1[2-hyddroxyethoxy)-methyl]-6(phenylthio)thymineHannongbua S., Hannongbua S., Lawtrakul L., Sotriffer C., Rode B.1996Quantitative Structure-Activity Relationships
    15(5),pp. 389-394
    42
    15Three-dimensional quantitative structure-activity relationships study on HIV-1 reverse transcriptase inhibitors in the class of dipyridodiazepinone derivatives, using comparative molecular field analysisPungpo P., Hannongbua S.2000Journal of Molecular Graphics and Modelling
    18(6)
    41
    16Quantitative structure-activity relationships and comparative molecular field analysis of TIBO derivatised HIV-1 reverse transcriptase inhibitorsHannongbua S., Pungpo P., Limtrakul J., Wolschann P.1999Journal of Computer-Aided Molecular Design
    13(6),pp. 563-577
    39
    17SAC-CI theoretical investigation on electronic structure of fluorene-thiophene oligomersPoolmee P., Ehara M., Hannongbua S., Nakatsuji H., Nakatsuji H.2005Polymer
    46(17),pp. 6474-6481
    33
    18Defining the membrane disruption mechanism of kalata B1 via coarse-grained molecular dynamics simulationsNawae W., Hannongbua S., Ruengjitchatchawalya M.2014Scientific Reports
    4
    33
    19Structure-activity correlation study of HIV-1 inhibitors: Electronic and molecular parametersHannongbua S., Lawtrakul L., Limtrakul J.1996Journal of Computer-Aided Molecular Design
    10(2),pp. 145-152
    32
    20Binding of huperzine A and galanthamine to acetylcholinesterase, based on ONIOM methodKitisripanya N., Kitisripanya N., Saparpakorn P., Wolschann P., Hannongbua S.2011Nanomedicine: Nanotechnology, Biology, and Medicine
    7(1),pp. 60-68
    31
    21Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray CrystallographyKamsri P., Hanwarinroj C., Phusi N., Pornprom T., Chayajarus K., Punkvang A., Suttipanta N., Srimanote P., Suttisintong K., Songsiriritthigul C., Saparpakorn P., Hannongbua S., Rattanabunyong S., Seetaha S., Choowongkomon K., Sureram S., Kittakoop P., Kittakoop P., Kittakoop P., Hongmanee P., Santanirand P., Chen Z., Zhu W., Blood R.A., Takebayashi Y., Hinchliffe P., Mulholland A.J., Spencer J., Pungpo P.2020Journal of Chemical Information and Modeling
    60(1),pp. 226-234
    30
    22Molecular dynamics of interactions between rigid and flexible antifolates and dihydrofolate reductase from pyrimethamine-sensitive and pyrimethamine-resistant plasmodium falciparumMokmak W., Chunsrivirot S., Chunsrivirot S., Hannongbua S., Yuthavong Y., Tongsima S., Kamchonwongpaisan S.2014Chemical Biology and Drug Design
    84(4),pp. 450-461
    29
    23Elucidating the origin of the esterase activity of human serum albumin using QM/MM calculationsPhuangsawai O., Hannongbua S., Gleeson M.2014Journal of Physical Chemistry B
    118(41),pp. 11886-11894
    28
    24Anti-HIV-1 reverse transcriptase activities of hexane extracts from some asian medicinal plantsSilprasit K., Seetaha S., Pongsanaraku P., Hannongbua S., Choowongkomon K.2011Journal of Medicinal Plant Research
    5(19),pp. 4899-4906
    28
    25Photophysical properties and photochemistry of substituted cinnamates and cinnamic acids for UVB blocking: Effect of hydroxy, nitro, and fluoro substitutions at ortho, meta, and para positionsPromkatkaew M., Promkatkaew M., Suramitr S., Karpkird T., Wanichwecharungruang S., Ehara M., Ehara M., Hannongbua S.2014Photochemical and Photobiological Sciences
    13(3),pp. 583-594
    28
    26Absorption and emission spectra of ultraviolet B blocking methoxy substituted cinnamates investigated using the symmetry-adapted cluster configuration interaction methodPromkatkaew M., Suramitr S., Karpkird T., Namuangruk S., Ehara M., Hannongbua S.2009Journal of Chemical Physics
    131(22)
    27
    27Bridge water mediates nevirapine binding to wild type and Y181C HIV-1 reverse transcriptase-Evidence from molecular dynamics simulations and MM-PBSA calculationsTreesuwan W., Hannongbua S.2009Journal of Molecular Graphics and Modelling
    27(8),pp. 921-929
    27
    28Investigation on the binding of polycyclic aromatic hydrocarbons with soil organic matter: A theoretical approachSaparpakorn P., Jae H., Hannongbua S.2007Molecules
    12(4),pp. 703-715
    27
    29The effect of edges and shapes on band gap energy in graphene quantum dotsKittiratanawasin L., Hannongbua S.2016Integrated Ferroelectrics
    175(1),pp. 211-219
    27
    30Active site dynamics and combined quantum mechanics/molecular mechanics (QM/MM) modelling of a HIV-1 reverse transcriptase/DNA/dTTP complexRungrotmongkol T., Mulholland A., Hannongbua S.2007Journal of Molecular Graphics and Modelling
    26(1),pp. 1-13
    26
    31Photophysical properties for excited-state intramolecular proton transfer (ESIPT) reaction of N-salicylidene-o-aminophenol: Experimental and DFT based approachesKlinhom N., Saengsuwan N., Sriyab S., Prompinit P., Hannongbua S., Suramitr S.2019Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
    206,pp. 359-366
    26
    32Conformational analysis and electronic transition of carbazole-based oligomers as explained by density functional theorySuramitr S., Hannongbua S., Wolschann P.2007Journal of Molecular Structure: THEOCHEM
    807(1-3),pp. 109-119
    23
    33Particular interaction between efavirenz and the HIV-1 reverse transcriptase binding site as explained by the ONIOM2 methodNunrium P., Kuno M., Saen-Oon S., Hannongbua S.2005Chemical Physics Letters
    405(1-3),pp. 198-202
    23
    34Virtual screening for anti-HIV-1 RT and anti-HIV-1 PR inhibitors from the Thai medicinal plants database: A combined docking with neural networks approachSangma C., Chuakheaw D., Jongkon N., Saenbandit K., Nunrium P., Uthayopas P., Hannongbua S.2005Combinatorial Chemistry and High Throughput Screening
    8(5),pp. 417-429
    21
    35Simple and rapid determination of the enzyme kinetics of HIV-1 reverse transcriptase and anti-HIV-1 agents by a fluorescence based methodSilprasit K., Thammaporn R., Tecchasakul S., Hannongbua S., Choowongkomon K.2011Journal of Virological Methods
    171(2),pp. 381-387
    21
    36Oligostilbenoids with acetylcholinesterase inhibitory activity from Dipterocarpus alatusChen C.J., Jiang R., Wang G., Jiao R.H., Tancharoen C., Sudto K., Vajarothai S., Hannongbua S., Ge H.M., Tan R.X.2014Planta Medica
    80(17),pp. 1641-1646
    21
    37Moisture-Resistant Electrospun Polymer Membranes for Efficient and Stable Fully Printable Perovskite Solar Cells Prepared in Humid AirPrajongtat P., Sriprachuabwong C., Wongkanya R., Dechtrirat D., Sudchanham J., Srisamran N., Sangthong W., Chuysinuan P., Tuantranont A., Hannongbua S., Chattham N.2019ACS Applied Materials and Interfaces
    11(31),pp. 27677-27685
    21
    38Structure and Dynamics of SARS Coronavirus Proteinase: The Primary Key to the Designing and Screening for Anti-SARS DrugsLee V.S., Lee V.S., Wittayanarakul K., Remsungnen T., Parasuk V., Sompornpisut P., Chantratita W., Sangma C., Vannarat S., Srichaikul P., Hannongbua S., Saparpakorn P., Treesuwan W., Aruksakulwong O., Pasomsub E., Promsri S., Chuakheaw D., Hannongbua S.2003ScienceAsia
    29(2),pp. 181-188
    20
    39Chevalone C analogues and globoscinic acid derivatives from the fungus Neosartorya spinosa KKU-1NK1Rajachan O., Kanokmedhakul K., Sanmanoch W., Boonlue S., Hannongbua S., Saparpakorn P., Kanokmedhakul S.2016Phytochemistry
    132,pp. 68-75
    20
    40Interactions between cycloguanil derivatives and wild type and resistance-associated mutant Plasmodium falciparum dihydrofolate reductasesMaitarad P., Maitarad P., Kamchonwongpaisan S., Vanichtanankul J., Vilaivan T., Yuthavong Y., Hannongbua S.2009Journal of Computer-Aided Molecular Design
    23(4),pp. 241-252
    20
    413D pharmacophore mapping using 4D QSAR analysis for the cytotoxicity of lamellarins against human hormone-dependent T47D breast cancer cellsThipnate P., Thipnate P., Liu J., Liu J., Hannongbua S., Hannongbua S., Hopfinger A., Hopfinger A.2009Journal of Chemical Information and Modeling
    49(10),pp. 2312-2322
    20
    42Absorption and emission properties of various substituted cinnamic acids and cinnamates, based on TDDFT investigationPromkatkaew M., Suramitr S., Karpkird T., Ehara M., Hannongbua S.2013International Journal of Quantum Chemistry
    113(4),pp. 542-554
    20
    43In silico screening of epidermal growth factor receptor (EGFR) in the tyrosine kinase domain through a medicinal plant compound databaseSawatdichaikul O., Hannongbua S., Sangma C., Wolschann P., Choowongkomon K.2012Journal of Molecular Modeling
    18(3),pp. 1241-1254
    19
    44ONIOM-BSSE scheme for H⋯π system and applications on HIV-1 reverse transcriptaseKuno M., Hongkrengkai R., Hannongbua S.2006Chemical Physics Letters
    424(1-3),pp. 172-177
    19
    45Understanding on absorption and fluorescence electronic transitions of carbazole-based conducting polymers: TD-DFT approachesSuramitr S., Meeto W., Wolschann P., Hannongbua S.2009Theoretical Chemistry Accounts
    125(1),pp. 35-44
    19
    46Bridged tricyclic sesquiterpenes from the tubercle nudibranch Phyllidia coelestis BerghJaisamut S., Prabpai S., Tancharoen C., Yuenyongsawad S., Hannongbua S., Kongsaeree P., Plubrukarn A.2013Journal of Natural Products
    76(11),pp. 2158-2161
    19
    47Conformational analysis of nevirapine, a non-nucleoside HIV-1 reverse transcriptase inhibitor, based on quantum mechanical calculationsHannongbua S., Prasithichokekul S., Pungpo P.2001Journal of Computer-Aided Molecular Design
    15(11),pp. 997-1004
    18
    48Hologram quantitative structure-activity relationships investigations of non-nucleoside reverse transcriptase inhibitorsPungpo P., Pungpo P., Hannongbua S., Wolschann P.2003Current Medicinal Chemistry
    10(17),pp. 1661-1677
    18
    49Catalytic properties of a free hydroxyl on a silica, a zeolite, and modified zeolites: quantum-chemical model calculationsLimtrakul J., Hannongbua S.1993Journal of Molecular Structure: THEOCHEM
    280(1),pp. 139-145
    18
    50Evaluation of the anti-malarial activity and cytotoxicity of 2,4-diamino-pyrimidine-based kinase inhibitorsPhuangsawai O., Beswick P., Ratanabunyong S., Tabtimmai L., Suphakun P., Obounchoey P., Srisook P., Horata N., Chuckowree I., Hannongbua S., Ward S., Choowongkomon K., Gleeson M.2016European Journal of Medicinal Chemistry
    124,pp. 896-905
    18
    51Skin sensitization prediction using quantum chemical calculations: A theoretical model for the SNAr domainPromkatkaew M., Gleeson D., Hannongbua S., Gleeson M.2014Chemical Research in Toxicology
    27(1),pp. 51-60
    17
    52A combined MD-ONIOM2 approach for 1H NMR chemical shift calculations including a polar solventVailikhit V., Treesuwan W., Hannongbua S.2007Journal of Molecular Structure: THEOCHEM
    806(1-3),pp. 99-104
    17
    53Excited state properties, fluorescence energies, and lifetime of a poly(fluorene-pyridine) copolymer, based on TD-DFT investigationChidthong R., Hannongbua S., Aquino A., Aquino A., Wolschann P., Lischka H.2007Journal of Computational Chemistry
    28(10),pp. 1735-1742
    17
    54Effects of the second hydration shell on excited-state multiple proton transfer: Dynamics simulations of 7-azaindole: (h2o)1-5 clusters in the gas phaseKungwan N., Kerdpol K., Daengngern R., Hannongbua S., Barbatti M.2014Theoretical Chemistry Accounts
    133(5),pp. 1-11
    17
    55Dynamics simulations of excited-state triple proton transfer in7-azaindole complexes with water, water-methanol and methanolDaengngern R., Kerdpol K., Kungwan N., Hannongbua S., Barbatti M.2013Journal of Photochemistry and Photobiology A: Chemistry
    266,pp. 28-36
    16
    56A DFT study of the unusual substrate-assisted mechanism of Serratia marcescens chitinase B reveals the role of solvent and mutational effect on catalysisJitonnom J., Sattayanon C., Kungwan N., Hannongbua S.2015Journal of Molecular Graphics and Modelling
    56,pp. 53-59
    16
    57Theoretical study on the structures and electronic properties of oligo(p-phenylenevinylene) carboxylic acid and its derivatives: Effects of spacer and anchor groupsSuramitr S., Piriyagagoon A., Wolschann P., Hannongbua S.2012Theoretical Chemistry Accounts
    131(4),pp. 1-15
    16
    58Structures, absorption spectra, and electronic properties of polyfluorene and its derivatives: A theoretical studySriwichitkamol K., Suramitr S., Poolmee P., Hannongbua S.2006Journal of Theoretical and Computational Chemistry
    5(3),pp. 595-608
    16
    59Molecular mechanics PBSA ligand binding energy and interaction of Efavirenz derivatives with HIV-1 reverse transcriptaseWeinzinger P., Hannongbua S., Wolschann P.2005Journal of Enzyme Inhibition and Medicinal Chemistry
    20(2),pp. 129-134
    15
    60Aggregation-induced emission enhancement (AIEE) of N,N′-Bis(Salicylidene)-p-Phenylenediamine Schiff base: Synthesis, photophysical properties and its DFT studiesMiengmern N., Koonwong A., Sriyab S., Suramitr A., Poo-arporn R., Hannongbua S., Suramitr S.2019Journal of Luminescence
    210,pp. 493-500
    15
    61NMR characterization of HIV-1 reverse transcriptase binding to various non-nucleoside reverse transcriptase inhibitors with different activitiesThammaporn R., Thammaporn R., Yagi-Utsumi M., Yagi-Utsumi M., Yamaguchi T., Yamaguchi T., Boonsri P., Saparpakorn P., Choowongkomon K., Techasakul S., Kato K., Kato K., Hannongbua S.2015Scientific Reports
    5
    15
    62Application of Site-Specific Spin Labeling for NMR Detecting Inhibitor-Induced Conformational Change of HIV-1 Reverse TranscriptaseSeetaha S., Seetaha S., Yagi-Utsumi M., Yagi-Utsumi M., Yamaguchi T., Yamaguchi T., Yamaguchi T., Ishii K., Hannongbua S., Choowongkomon K., Kato K., Kato K., Kato K.2016ChemMedChem
    11(4),pp. 363-366
    15
    63A study of the binding energies of efavirenz to wild-type and K103N/Y181C HIV-1 reverse transcriptase based on the ONIOM methodSrivab P., Hannongbua S.2008ChemMedChem
    3(5),pp. 803-811
    15
    64QM/MM modeling of the hydrolysis and transfructosylation reactions of fructosyltransferase from Aspergillus japonicas, an enzyme that produces prebiotic fructooligosaccharideJitonnom J., Ketudat-Cairns J., Hannongbua S.2018Journal of Molecular Graphics and Modelling
    79,pp. 175-184
    15
    65Tetrafluorinated phenylpyridine based heteroleptic iridium(iii) complexes for efficient sky blue phosphorescent organic light-emitting diodesChen Z., Chen Z., Suramitr S., Zhu N., Ho C.L., Ho C.L., Hannongbua S., Chen S., Wong W.Y., Wong W.Y., Wong W.Y.2020Journal of Materials Chemistry C
    8(7),pp. 2551-2557
    14
    66Binding interaction of protoberberine alkaloids against acetylcholinesterase (AChE) using molecular dynamics simulations and QM/MM calculationsHonorio P., Sainimnuan S., Hannongbua S., Saparpakorn P.2021Chemico-Biological Interactions
    344
    14
    67Particular interaction between pyrimethamine derivatives and quadruple mutant type dihydrofolate reductase of Plasmodium falciparum: CoMFA and quantum chemical calculations studiesMaitarad P., Saparpakorn P., Hannongbua S., Kamchonwongpaisan S., Tarnchompoo B., Yuthavong Y.2009Journal of Enzyme Inhibition and Medicinal Chemistry
    24(2),pp. 471-479
    13
    68Key interactions of the mutant HIV-1 reverse transcriptase/efavirenz: An evidence obtained from ONIOM methodBoonsri P., Kuno M., Hannongbua S.2011MedChemComm
    2(12),pp. 1181-1187
    13
    69Insight into crucial inhibitor-enzyme interaction of arylamides as novel direct inhibitors of the enoyl ACP reductase (InhA) from Mycobacterium tuberculosis: Computer-aided molecular designPunkvang A., Saparpakorn P., Hannongbua S., Wolschann P., Berner H., Pungpo P.2010Monatshefte fur Chemie
    141(9),pp. 1029-1041
    13
    70Theoretical study on excited-state intermolecular proton transfer reactions of 1H-pyrrolo[3,2-h]quinoline with water and methanolKungwan N., Daengngern R., Piansawan T., Hannongbua S., Barbatti M.2013Theoretical Chemistry Accounts
    132(11),pp. 1-10
    13
    71Electronic properties of alkoxy derivatives of poly(para-phenylenevinylene) , investigated by time-dependent density functional theory calculationsSuramitr S., Kerdcharoen T., Kerdcharoen T., Srikhirin T., Srikhirin T., Hannongbua S.2005Synthetic Metals
    155(1),pp. 27-34
    13
    72Accessible charges in structure-activity relationships. A study on HEPT- based HIV-1 RT inhibitorsKlein C., Lawtrakul L., Hannongbua S., Wolschann P.2000Scientia Pharmaceutica
    68(1),pp. 25-40
    12
    73Insight into HIV-1 reverse transcriptase - Aptamer interaction from molecular dynamics simulationsAeksiri N., Songtawee N., Gleeson M., Hannongbua S., Choowongkomon K.2014Journal of Molecular Modeling
    20(8)
    12
    74Terezine derivatives from the fungus Phoma herbarum PSU-H256Maha A., Rukachaisirikul V., Saithong S., Phongpaichit S., Poonsuwan W., Sakayaroj J., Saparpakorn P., Hannongbua S.2016Phytochemistry
    122,pp. 223-229
    12
    75Elucidating drug-enzyme interactions and their structural basis for improving the affinity and potency of isoniazid and its derivatives based on computer modeling approachesPunkvang A., Saparpakorn P., Hannongbua S., Wolschann P., Pungpo P.2010Molecules
    15(4),pp. 2791-2813
    12
    76Excited state properties, fluorescence energies, and lifetimes of a poly(fluorene-phenylene), based on TD-DFT investigationChidthong R., Hannongbua S.2010Journal of Computational Chemistry
    31(7),pp. 1450-1457
    11
    77Insight into the structural requirements of aminopyrimidine derivatives for good potency against both purified enzyme and whole cells of M. tuberculosis: Combination of HQSAR, CoMSIA, and MD simulation studiesPunkvang A., Hannongbua S., Saparpakorn P., Pungpo P.2016Journal of Biomolecular Structure and Dynamics
    34(5),pp. 1079-1091
    11
    78A novel prediction approach for antimalarial activities of Trimethoprim, Pyrimethamine, and Cycloguanil analogues using extremely randomized treesNattee C., Khamsemanan N., Lawtrakul L., Toochinda P., Hannongbua S.2017Journal of Molecular Graphics and Modelling
    71,pp. 13-27
    11
    79Anti-HIV-1 reverse transcriptase activities of hexane extracts from some Asian medicinal plantsSilprasit K., Seetaha S., Pongsanarakul P., Hannongbua S., Choowongkomon K.2011Journal of Medicinal Plants Research
    5(17),pp. 4194-4201
    11
    80Inhibitory effects of 2-substituted-1-naphthol derivatives on cyclooxygenase I and IIKongkathip B., Sangma C., Kirtikara K., Luangkamin S., Hasitapan K., Jongkon N., Hannongbua S., Kongkathip N.2005Bioorganic and Medicinal Chemistry
    13(6),pp. 2167-2175
    11
    81Conformational study of the HIV-1 reverse transcriptase inhibitor 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT)Lawtrakul L., Hannongbua S., Beyer A., Wolschann P.1999Biological Chemistry
    380(2),pp. 265-267
    11
    82Molecular dynamics exploration of poration and leaking caused by Kalata B1 in HIV-infected cell membrane compared to host and HIV membranesNawae W., Hannongbua S., Ruengjitchatchawalya M.2017Scientific Reports
    7(1)
    11
    83Photophysical properties of 1-pyrene-based derivatives for nitroaromatic explosives detection: Experimental and theoretical studiesSriyab S., Jorn-Iat K., Prompinit P., Wolschann P., Hannongbua S., Suramitr S.2018Journal of Luminescence
    203,pp. 492-499
    11
    84A fungal metabolite zearalenone as a CFTR inhibitor and potential therapy of secretory diarrheasMuangnil P., Satitsri S., Tadpetch K., Saparpakorn P., Chatsudthipong V., Hannongbua S., Rukachaisirikul V., Muanprasat C.2018Biochemical Pharmacology
    150,pp. 293-304
    10
    85Quantitative structure-activity relationships of HIV-1 RT inhibitors in the class of 1-[(2-hydroxyethoxy)methyl]-5,6-substituted thymine [HEPT] analoguesLawtrakul L., Hannongbua S.1999Scientia Pharmaceutica
    67(1),pp. 43-56
    10
    86Structural Flexibility of Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitor: 9-Cl TIBO as Explained by Potential Energy Surface and 13C and 1H NMR Calculations, Based on ab initio and Density Functional StudySaen-Oon S., Hannongbua S., Wolschann P.2003Journal of Chemical Information and Computer Sciences
    43(5),pp. 1412-1422
    10
    87Synthesis and evaluation of the NSCLC anti-cancer activity and physical properties of 4-aryl-N-phenylpyrimidin-2-aminesToviwek B., Suphakun P., Choowongkomon K., Hannongbua S., Gleeson M., Gleeson M.2017Bioorganic and Medicinal Chemistry Letters
    27(20),pp. 4749-4754
    10
    88Enhancement of the solubility, thermal stability, and electronic properties of carbon nanotubes functionalized with MEH-PPV: A combined experimental and computational studyPrajongtat P., Suramitr S., Gleeson M., Mitsuke K., Mitsuke K., Mitsuke K., Hannongbua S.2013Monatshefte fur Chemie
    144(7),pp. 925-935
    10
    89Theoretical investigation on the electronic and optical properties of poly(fluorenevinylene) derivatives as light-emitting materialsKungwan N., Yakhanthip T., Jitonnom J., Anuragudom P., Jungsuttiwong S., Hannongbua S.2011International Journal of Photoenergy
    2011
    10
    90Bis(phenothiazyl-ethynylene)-Based Organic Dyes Containing Di-Anchoring Groups with Efficiency Comparable to N719 for Dye-Sensitized Solar CellsSiu C.H., Lee L.T.L., Ho P.Y., Ho P.Y., Ho C.L., Ho C.L., Chen T., Chen T., Suramitr S., Hannongbua S., Xie Z., Wei M., Wong W.Y., Wong W.Y., Wong W.Y., Wong W.Y.2017Chemistry - An Asian Journal
    12(3),pp. 332-340
    9
    91Elucidating structural basis of benzofuran pyrrolidine pyrazole derivatives for enhancing potency against both the InhA enzyme and intact M. tuberculosis cells: a combined MD simulations and 3D-QSAR studyKamsri P., Punkvang A., Hannongbua S., Saparpakorn P., Pungpo P.2015RSC Advances
    5(65),pp. 52926-52937
    9
    92Design, synthesis and evaluation of N 2 ,N 4 -diaminoquinazoline based inhibitors of phosphodiesterase type 5Pobsuk N., Paracha T., Chaichamnong N., Salaloy N., Suphakun P., Hannongbua S., Choowongkomon K., Pekthong D., Chootip K., Ingkaninan K., Gleeson M.2019Bioorganic and Medicinal Chemistry Letters
    29(2),pp. 267-270
    9
    93Ranking ligand affinity for the DNA minor groove by experiment and simulationWittayanarakul K., Anthony N.G., Treesuwan W., Hannongbua S., Alniss H., Khalaf A.I., Suckling C.J., Parkinson J.A., MacKay S.P.2010ACS Medicinal Chemistry Letters
    1(8),pp. 376-380
    9
    94Mechanistic study of HIV-1 reverse transcriptase at the active site based on QM/MM methodRungrotmongkol T., Hannongbua S., Mulholland A.2004Journal of Theoretical and Computational Chemistry
    3(4),pp. 491-500
    9
    95Investigation on an Orientation and Interaction Energy of the Water Molecule in the HIV-1 Reverse Transcriptase Active Site by Quantum Chemical CalculationsKuno M., Palangsuntikul R., Hannongbua S.2003Journal of Chemical Information and Computer Sciences
    43(5),pp. 1584-1590
    9
    96Adsorption study of lac dyes with chitosan coated on silk fibroin using molecular dynamics simulationsChimprasit A., Hannongbua S., Saparpakorn P.2021Journal of Molecular Graphics and Modelling
    106
    9
    97Active site dynamics and catalytic mechanism in arabinan hydrolysis catalyzed by GH43 endo-arabinanase from QM/MM molecular dynamics simulation and potential energy surfaceMeelua W., Wanjai T., Thinkumrob N., Oláh J., Mujika J.I., Ketudat-Cairns J.R., Hannongbua S., Jitonnom J.2021Journal of Biomolecular Structure and Dynamics
    8
    98Surface-modified halloysite nanotubes as electrochemical CO2SensorsJeamjumnunja K., Cheycharoen O., Phongzitthiganna N., Hannongbua S., Prasittichai C.2021ACS Applied Nano Materials
    8
    99Molecular calculations on the conformation of the HIV-1 reverse transcriptase inhibitor 1-((2-Hydroxyethoxy)methyl)-6-(phenylthio)thymine (HEPT)Lawtrakul L., Hannongbua S., Beyer A., Wolschann P.1999Monatshefte fur Chemie
    130(11),pp. 1347-1363
    8
    100Quantitative Structural Rearrangement of HIV-1 reverse transcriptase on binding to non-nucleoside inhibitorsLawtrakul L., Beyer A., Hannongbua S., Wolschann P.2004Monatshefte fur Chemie
    135(8),pp. 1033-1046
    8
    101Characteristic vibration patterns of odor compounds from bread-baking volatiles upon protein binding: Density functional and ONIOM study and principal component analysisTreesuwan W., Hirao H., Hirao H., Morokuma K., Hannongbua S.2012Journal of Molecular Modeling
    18(5),pp. 2227-2240
    8
    102Divide-and-conquer-based quantum chemical study for interaction between HIV-1 reverse transcriptase and MK-4965 inhibitorSaparpakorn P., Saparpakorn P., Kobayashi M., Kobayashi M., Hannongbua S., Nakai H., Nakai H.2013International Journal of Quantum Chemistry
    113(4),pp. 510-517
    8
    103QM/MM simulations indicate that Asp185 is the likely catalytic base in the enzymatic reaction of HIV-1 reverse transcriptaseRungrotmongkol T., Mulholland A., Hannongbua S.2014MedChemComm
    5(5),pp. 593-596
    8
    104Dynamic scenario of membrane binding process of Kalata B1Nawae W., Hannongbua S., Ruengjitchatchawalya M.2014PLoS ONE
    9(12)
    8
    105Subcritical Water Extraction of Resveratrol from Barks of Shorea Roxburghii G. DonChainukool S., Goto M., Hannongbua S., Shotipruk A.2014Separation Science and Technology (Philadelphia)
    49(13),pp. 2073-2078
    8
    106Study of the removal of a disperse dye stain from a polyester/elastane blendSuwanruji P., Chuaybamrung L., Suesat J., Hannongbua S., Taylor J., Phillips D.2012Coloration Technology
    128(2),pp. 103-107
    8
    107Exploring the molecular basis for selective cytotoxicity of lamellarins against human hormone-dependent T47D and hormone-independent MDA-MB-231 breast cancer cellsThipnate P., Chittchang M., Thasana N., Saparpakorn P., Ploypradith P., Hannongbua S.2011Monatshefte fur Chemie
    142(1),pp. 97-109
    7
    108QM methods in structure based design: Utility in probing protein-ligand interactionsGleeson M., Hannongbua S., Gleeson D.2010Journal of Molecular Graphics and Modelling
    29(4),pp. 507-517
    7
    109Probing the structural requirements for antitubercular activity of scalarane derivatives using 2D-QSAR and CoMFA approachesThengyai S., Maitarat P., Hannongbua S., Suwanborirux K., Plubrukarn A., Plubrukarn A.2010Monatshefte fur Chemie
    141(6),pp. 621-629
    7
    110Recent advances in NNRTI design: Computer-aided molecular design approachesPungpo P., Punkvang A., Saparpakorn P., Wolschann P., Hannongbua S.2009Current Computer-Aided Drug Design
    5(3),pp. 174-199
    7
    111Substrate induced structural and dynamics changes in human phosphomevalonate kinase and implications for mechanismOlson A.L., Yao H., Herdendorf T.J., Miziorko H.M., Hannongbua S., Saparpakorn P., Cai S., Sem D.S.2009Proteins: Structure, Function and Bioinformatics
    75(1),pp. 127-138
    7
    112CoMFA and CoMSIA studies on a new series of xanthone derivatives against the oral human epidermoid carcinoma (KB) cancer cell lineSuphavanich K., Maitarad P., Hannongbua S., Sudta P., Suksamrarn S., Tantirungrotechai Y., Limtrakul J.2009Monatshefte fur Chemie
    140(3),pp. 273-280
    7
    113Molecular docking and NMR binding studies to identify novel inhibitors of human phosphomevalonate kinaseBoonsri P., Boonsri P., Neumann T., Olson A., Cai S., Herdendorf T., Miziorko H., Hannongbua S., Sem D.2013Biochemical and Biophysical Research Communications
    430(1),pp. 313-319
    7
    114Effects of reactive red 239 on developing zebrafish (Danio rerio) embryosJungtanasombut W., Preeprem P., Kovitvadhi S., Kovitvadhi U., Hannongbua S.2014Kasetsart Journal - Natural Science
    48(4),pp. 619-628
    7
    115Novel 2-chloro-8-arylthiomethyldipyridodiazepinone derivatives with activity against HIV-1 reverse transcriptaseKhunnawutmanotham N., Chimnoi N., Saparpakorn P., Pungpo P., Louisirirotchanakul S., Hannongbua S., Techasakul S., Techasakul S.2007Molecules
    12(2),pp. 218-230
    7
    116Structural information and computational methods used in design of neuraminidase inhibitorsSangma C., Hannongbua S.2007Current Computer-Aided Drug Design
    3(2),pp. 113-132
    7
    117Spectroscopy and a theoretical study of colorimetric sensing of fluoride ions by salicylidene based Schiff base derivativesNakwanich B., Koonwong A., Suramitr A., Prompinit P., Poo-arporn R.P., Hannongbua S., Suramitr S.2021Journal of Molecular Structure
    1245
    7
    118Simulation Study of Interactions Between Two Bioactive Components from Zingiber cassumunar and 5-LipoxygenaseJitapunkul K., Poachanukoon O., Hannongbua S., Toochinda P., Lawtrakul L.2018Cellular and Molecular Bioengineering
    11(1),pp. 77-89
    7
    119Identification of Potent DNA Gyrase Inhibitors Active against Mycobacterium tuberculosisPakamwong B., Thongdee P., Kamsri B., Phusi N., Kamsri P., Punkvang A., Ketrat S., Saparpakorn P., Hannongbua S., Ariyachaokun K., Suttisintong K., Sureram S., Kittakoop P., Kittakoop P., Kittakoop P., Hongmanee P., Santanirand P., Spencer J., Mulholland A.J., Pungpo P.2021Journal of Chemical Information and Modeling
    7
    120Systematic investigation of non-nucleoside inhibitors of HIV-1 reverse transcriptase (NNRTIs)Beyer A., Lawtrakul L., Hannongbua S., Wolschann P.2004Monatshefte fur Chemie
    135(8),pp. 1047-1059
    6
    121Elucidation of vasodilation response and structure activity relationships of N2,N4-disubstituted quinazoline 2,4-diamines in a rat pulmonary artery modelParacha T., Pobsuk N., Salaloy N., Suphakun P., Pekthong D., Hannongbua S., Choowongkomon K., Khorana N., Temkitthawon P., Ingkaninan K., Gleeson M., Chootip K.2019Molecules
    24(2)
    6
    122Novel peptides with HIV-1 reverse transcriptase inhibitory activity derived from the fruits of Quercus infectoriaSeetaha S., Hannongbua S., Rattanasrisomporn J., Choowongkomon K.2020Chemical Biology and Drug Design
    6
    123Effects of the CN and NH2 substitutions on the geometrical and optical properties of model vinylfluorenes, based on DFT calculationsMeeto W., Suramitr S., Lukeš V., Wolschann P., Hannongbua S.2010Journal of Molecular Structure: THEOCHEM
    939(1-3),pp. 75-81
    6
    124Investigation of excited-state properties of fluorene-thiophene oligomers by the SAC-CI theoretical approachPoolmee P., Hannongbua S.2010Journal of Computational Chemistry
    31(10),pp. 1945-1955
    6
    125Photophysical properties and photochemistry of EE -, EZ -, and ZZ -1,4-dimethoxy-2,5-bis[2-(thien-2-yl)ethenyl] benzene in solution: Theory and experimentSuramitr S., Suramitr S., Phalinyot S., Phalinyot S., Wolschann P., Fukuda R., Fukuda R., Ehara M., Ehara M., Hannongbua S., Hannongbua S.2012Journal of Physical Chemistry A
    116(3),pp. 924-937
    5
    126QM/MM investigation of the reaction rates of substrates of 2,3-dimethylmalate lyase: A catabolic protein isolated from Aspergillus nigerChotpatiwetchkul W., Jongkon N., Hannongbua S., Gleeson M.2016Journal of Molecular Graphics and Modelling
    68,pp. 29-38
    5
    127Elucidating the structural basis of diphenyl ether derivatives as highly potent enoyl-ACP reductase inhibitors through molecular dynamics simulations and 3D-QSAR studyKamsri P., Punkvang A., Saparpakorn P., Hannongbua S., Irle S., Pungpo P.2014Journal of Molecular Modeling
    20(7)
    5
    128DFT/TD-DFT investigation on the photoinduced electron transfer of diruthenium and viologen complexesPromkatkaew M., Suramitr S., Karpkird T., Ehara M., Hannongbua S.2020Journal of Luminescence
    222
    5
    129Use of Capillary Electrophoresis to Study the Binding Interaction of Aptamers with Wild-Type, K103N, and Double Mutant (K103N/Y181C) HIV-1 RT: Studying the Binding Interaction of Wild-Type, K103N, and Double Mutant (K103N/Y181C) HIV-1 RT with Aptamers by Performing the Capillary ElectrophoresisAeksiri N., Aeksiri N., Warakulwit C., Hannongbua S., Unajak S., Choowongkomon K.2017Applied Biochemistry and Biotechnology
    182(2),pp. 546-558
    5
    130Development of new thiocyanate-free Ruthenium(II) dyes bearing isoquinoline chromophores for hydrogen production via water splittingYao X., Ho P.Y., Yiu S.C., Suramitr S., Li W.B., Ho C.L., Hannongbua S.2022Dyes and Pigments
    205
    5
    131In silico and in vitro studies of potential inhibitors against Dengue viral protein NS5 Methyl Transferase from Ginseng and NotoginsengJarerattanachat V., Boonarkart C., Hannongbua S., Auewarakul P., Ardkhean R.2022Journal of Traditional and Complementary Medicine
    5
    132Roles of hybrid donepezil scaffolds as potent human acetylcholinesterase inhibitors using in silico interaction analysis, drug-likeness, and pharmacokinetics predictionHonorio P., Hannongbua S., Saparpakorn P.2022Chemico-Biological Interactions
    368
    5
    133Theoretical study of the arabinan hydrolysis by an inverting GH43 arabinanaseJitonnom J., Hannongbua S.2018Molecular Simulation
    44(8),pp. 631-637
    5
    134Photophysical properties and computational investigation on substituent effects on the structural and electronic properties of 3,6-di(thiophene-2-yl)-carbazole-based derivativesSriyab S., Gleeson M., Hannongbua S., Suramitr S.2016Journal of Molecular Structure
    1125,pp. 532-539
    5
    135Preparation, biological & cheminformatics-based assessment of N2,N4-diphenylpyrimidine-2,4-diamine as potential Kinase-targeted antimalarialsToviwek B., Toviwek B., Phuangsawai O., Konsue A., Hannongbua S., Riley J., Mutter N., Anderson M., Webster L., Hallyburton I., Read K.D., Gleeson M.P.2021Bioorganic and Medicinal Chemistry
    46
    5
    136Optimisation of stability and charge transferability of ferrocene-encapsulated carbon nanotubesPrajongtat P., Sriyab S., Zentgraf T., Hannongbua S.2018Molecular Physics
    116(1),pp. 9-18
    4
    137Shift/collapse on neighbor list (SC-NBL): Fast evaluation of dynamic many-body potentials in molecular dynamics simulationsKunaseth M., Hannongbua S., Nakano A.2019Computer Physics Communications
    235,pp. 88-94
    4
    138In silico design of novel quinazoline-based compounds as potential Mycobacterium tuberculosis PknB inhibitors through 2D and 3D-QSAR, molecular dynamics simulations combined with pharmacokinetic predictionsHanwarinroj C., Thongdee P., Sukchit D., Taveepanich S., Kamsri P., Punkvang A., Ketrat S., Saparpakorn P., Hannongbua S., Suttisintong K., Kittakoop P., Kittakoop P., Kittakoop P., Spencer J., Mulholland A.J., Pungpo P.2022Journal of Molecular Graphics and Modelling
    115
    4
    139Mechanistic insights into the catalytic reaction of plant allene oxide synthase (pAOS) via QM and QM/MM calculationsSomboon T., Ochiai J., Treesuwan W., Gleeson M., Hannongbua S., Hannongbua S., Mori S., Mori S.2014Journal of Molecular Graphics and Modelling
    52,pp. 20-29
    4
    140In vitro and in silico binding study of the peptide derived from HIV-1 CA-CTD and LysRS as a potential HIV-1 blocking siteNa Nakorn P., Treesuwan W., Choowongkomon K., Hannongbua S., Boonyalai N.2011Journal of Theoretical Biology
    270(1),pp. 88-97
    4
    141Dipyridodiazepinone derivatives; synthesis and anti HIV-1 activityKhunnawutmanotham N., Chimnoi N., Thitithanyanont A., Saparpakorn P., Choowongkomon K., Pungpo P., Hannongbua S., Techasakul S., Techasakul S.2009Beilstein Journal of Organic Chemistry
    5
    4
    142New racemosol derivatives as potent cyclooxygenase (COX) inhibitorsSongarsa S., Rajviroongit S., Sae-Tang D., Hannongbua S., Kirtikara K., Kittakoop P.2005Chemistry and Biodiversity
    2(12),pp. 1635-1647
    4
    143Synthesis, electrochemistry and photo-induced electron transfer of unsymmetrical dinuclear ruthenium osmium 2,2′-bipyridine complexesBoonyavong N., Suwanruji P., Hannongbua S., Li F., Sun L., Karpkird T.2014Journal of Photochemistry and Photobiology A: Chemistry
    287,pp. 40-48
    4
    144Structural insights into the interactions of phorbol ester and bryostatin complexed with protein kinase C: a comparative molecular dynamics simulation studyThangsunan P., Tateing S., Hannongbua S., Suree N.2016Journal of Biomolecular Structure and Dynamics
    34(7),pp. 1561-1575
    4
    145Mass spectrometric characterization of HIV-1 reverse transcriptase interactions with non-nucleoside reverse transcriptase inhibitorsThammaporn R., Thammaporn R., Ishii K., Yagi-Utsumi M., Yagi-Utsumi M., Uchiyama S., Uchiyama S., Hannongbua S., Kato K., Kato K.2016Biological and Pharmaceutical Bulletin
    39(3),pp. 450-454
    4
    146Use of 3D QSAR to investigate the mode of binding of pyrazinones to HIV-1 RTSaparpakorn P., Thammaporn R., Hannongbua S.2009Monatshefte fur Chemie
    140(6),pp. 587-594
    4
    147Systematic investigation on the binding of GW420867X as HIV-1 reverse transcriptase inhibitorSaparpakorn P., Saparpakorn P., Wolschann P., Karpfen A., Pungpo P., Hannongbua S.2011Monatshefte fur Chemie
    142(9),pp. 961-971
    3
    148Nuclear quantum effect and temperature dependency on the hydrogen-bonded structure of 7-azaindole dimerKungwan N., Ogata Y., Hannongbua S., Tachikawa M.2014Theoretical Chemistry Accounts
    133(9),pp. 1-10
    3
    149Theoretical study on the selective fluorescence of PicoGreen: Binding models and photophysical propertiesOkoshi M., Saparpakorn P., Takada Y., Hannongbua S., Nakai H., Nakai H., Nakai H.2014Bulletin of the Chemical Society of Japan
    87(2),pp. 267-273
    3
    150Key structural features of azanaphthoquinone annelated pyrrole derivative as anticancer agents based on the rational drug design approachesKamsri P., Punkvang A., Pongprom N., Srisupan A., Saparpakorn P., Hannongbua S., Wolschann P., Pungpo P.2013Molecular Informatics
    32(5-6),pp. 541-554
    3
    151Key role of hydrazine to the interaction between oxaloacetic against phosphoenolpyruvic carboxykinase (PEPCK): ONIOM calculationsPrajongtat P., Phromyothin D., Hannongbua S.2013Journal of Molecular Modeling
    19(8),pp. 3165-3174
    3
    152Synthesis, plasmodium falciparum inhibitory activity, cytotoxicity and solubility of n2,n4-disubstituted quinazoline-2,4-diaminesPobsuk N., Suphakun P., Hannongbua S., Nantasenamat C., Choowongkomon K., Paul Gleeson M.2019Medicinal Chemistry
    15(6),pp. 691-702
    3
    153Scalable production of reduced graphene oxide via biowaste valorisation: an efficient oxygen reduction reaction towards metal-free electrocatalysisShah A., Singh H., Prajongtat P., Joshi M.C., Hannongbua S., Chattham N., Kim Y.K., Kumar S., Kumar S., Singh D.P.2022New Journal of Chemistry
    3
    154Virtual Screening Identifies Novel and Potent Inhibitors of Mycobacterium tuberculosis PknB with Antibacterial ActivityThongdee P., Hanwarinroj C., Pakamwong B., Kamsri P., Punkvang A., Leanpolchareanchai J., Ketrat S., Saparpakorn P., Hannongbua S., Ariyachaokun K., Suttisintong K., Sureram S., Kittakoop P., Kittakoop P., Kittakoop P., Hongmanee P., Santanirand P., Mukamolova G.V., Blood R.A., Takebayashi Y., Spencer J., Mulholland A.J., Pungpo P.2022Journal of Chemical Information and Modeling
    3
    155Stepwise Access of Emissive Ir(III) Complexes Bearing a Multi-Dentate Heteroaromatic Chelate: Fundamentals and ApplicationsZheng Z., Zhu Z.L., Ho C.L., Yiu S.M., Lee C.S., Suramitr S., Hannongbua S., Chi Y.2021Inorganic Chemistry
    3
    156New potent epitopes from Leptospira borgpetersenii for the stimulation of humoral and cell-mediated immune responses: Experimental and theoretical studiesTansiri Y., Tansiri Y., Sritrakul T., Saparpakorn P., Boondamnern T., Chimprasit A., Sripattanakul S., Hannongbua S., Prapong S., Prapong S.2021Informatics in Medicine Unlocked
    25
    3
    157Characterization of New DNA Aptamers for Anti-HIV-1 Reverse TranscriptaseRatanabunyong S., Aeksiri N., Yanaka S., Yagi-Utsumi M., Kato K., Choowongkomon K., Hannongbua S.2020ChemBioChem
    3
    158Simulations of Shikimate Dehydrogenase from Mycobacterium tuberculosis in Complex with 3-Dehydroshikimate and NADPH Suggest Strategies for MtbSDH InhibitionPunkvang A., Kamsri P., Mulholland A., Spencer J., Hannongbua S., Pungpo P.2019Journal of Chemical Information and Modeling
    59(4),pp. 1422-1433
    3
    159Diptoindonesin D, a potent antibacterial activity against gram-positive bacteria, an inhibitor of penicillin-binding protein 2a from the stem bark of Shorea roxburghii G.DonSudto K., Saparpakorn P., Saparpakorn P., Tancharoen C., Tancharoen C., Phromyothin D., Techasakul S., Khunnawutmanotham N., Vajrodaya S., Ge H.M., Tan R.X., Tan R.X., Hannongbua S.2019Chiang Mai Journal of Science
    46(6),pp. 1161-1175
    2
    160Biophysical Characterization of Novel DNA Aptamers against K103N/Y181C Double Mutant HIV-1 Reverse TranscriptaseRatanabunyong S., Ratanabunyong S., Seetaha S., Hannongbua S., Yanaka S., Yagi-Utsumi M., Kato K., Paemanee A., Choowongkomon K.2022Molecules
    27(1)
    2
    161A combined theoretical and experimental study of CH3NH3PbI3 Containing AVAI films prepared via an intramolecular exchange processPrajongtat P., Hannongbua S.2018Journal of Physical Chemistry C
    122(34),pp. 19705-19711
    2
    162Risk factors and clinical and laboratory findings associated with feline immunodeficiency virus and feline leukemia virus infections in Bangkok, ThailandRungsuriyawiboon O., Jarudecha T., Hannongbua S., Choowongkomon K., Boonkaewwan C., Rattanasrisomporn J.2022Veterinary World
    15(7),pp. 1601-1609
    2
    163Computational design, synthesis and biological evaluation of PDE5 inhibitors based on N2,N4-diaminoquinazoline and N2,N6-diaminopurine scaffoldsSomnarin T., Pobsuk N., Chantakul R., Panklai T., Temkitthawon P., Hannongbua S., Chootip K., Ingkaninan K., Boonyarattanakalin K., Gleeson D., Paul Gleeson M.2022Bioorganic and Medicinal Chemistry
    76
    2
    164A computational study of the reaction mechanism and stereospecificity of dihydropyrimidinaseMeelua W., Wanjai T., Thinkumrob N., Oláh J., Cairns J.R.K., Hannongbua S., Ryde U., Jitonnom J.2023Physical Chemistry Chemical Physics
    2
    165Structural basis for inhibition of a GH116 β-glucosidase and its missense mutants by GBA2 inhibitors: Crystallographic and quantum chemical studyMeelua W., Thinkumrob N., Saparpakorn P., Pengthaisong S., Hannongbua S., Ketudat Cairns J.R., Jitonnom J.2023Chemico-Biological Interactions
    384
    2
    166Structural and spectroscopic properties of metal complexes with ruhemann’s purple compounds calculated using density functional theoryPromkatkaew M., Boonsri P., Hannongbua S.2019Key Engineering Materials
    824 KEM,pp. 204-211
    2
    167Key structures and interactions for binding of mycobacterium tuberculosis protein kinase B inhibitors from molecular dynamics simulationPunkvang A., Kamsri P., Saparpakorn P., Hannongbua S., Wolschann P., Irle S., Pungpo P.2015Chemical Biology and Drug Design
    86(1),pp. 871-881
    2
    168Rapid activity prediction of HIV-1 integrase inhibitors: harnessing docking energetic components for empirical scoring by chemometric and artificial neural network approachesThangsunan P., Kittiwachana S., Meepowpan P., Kungwan N., Prangkio P., Hannongbua S., Suree N.2016Journal of Computer-Aided Molecular Design
    30(6),pp. 471-488
    2
    169Insight into the reaction mechanism of cis,cis-muconate lactonizing enzymes: A DFT QM/MM studySomboon T., Gleeson M., Hannongbua S.2012Journal of Molecular Modeling
    18(2),pp. 525-531
    2
    170Roles of key residues specific to cyclooxygenase II: An ONIOM studySae-Tang D., Kittakoop P., Hannongbua S.2009Monatshefte fur Chemie
    140(12),pp. 1533-1541
    2
    1711H NMR chemical shifts of some DMSO-solvated amines using MD-ONIOM2Vailikhit V., Holzschuh W., Hannongbua S.2010Journal of Molecular Structure: THEOCHEM
    944(1-3),pp. 173-176
    1
    172JSPS Asian Core Program: Cutting-edge organic chemistry in Asia (phase II), 14th Asian Chemical Congress, and IUPAC Joint Workshop: Strategic planning for a new east and southeast Asian network for organic chemistryIsobe M., Wong H., Shing T., Huang P., Kanokmedhakul S., Hannongbua S., Chittchang M., Nishida A.2012Chemistry - An Asian Journal
    7(7),pp. 1468-1471
    1
    173Hopeahainol C monohydrateFun H., Sudto K., Ge H., Tan R., Hannongbua S., Chantrapromma S.2011Acta Crystallographica Section E: Structure Reports Online
    67(6)
    1
    174Quantitative Structure-Activity Relationship (QSAR) Methods for the Prediction of Substrates, Inhibitors, and Inducers of Metabolic EnzymesPhuangsawai O., Hannongbua S., Gleeson M.2014Drug Metabolism Prediction
    ,pp. 319-350
    1
    175Molecular dynamics simulations of azanaphthoquinone annelated pyrrole derivatives as anticancer agent in DNA duplexPunkvang A., Pungpo P., Kamsri P., Kasamsri D., Srisupan A., Saparpakorn P., Hannongbua S., Wolschann P., Prueksaaroon S., Pongprom N.2013International Journal of Quantum Chemistry
    113(4),pp. 555-562
    1
    176Theoretical study of the electronic structure and properties of alternating donor-acceptor couples of carbazole-based compounds for advanced organic light-emitting diodes (Oled)Makjan S., Promkatkaew M., Hannongbua S., Boonsri P.2019Key Engineering Materials
    824 KEM,pp. 236-244
    1
    177Molecular dynamics study on the unbinding of HBY 097 in the K103N mutant RTLawtrakul L., Hannongbua S.2007Monatshefte fur Chemie
    138(10),pp. 1029-1034
    1
    178Bioisosteric Design Identifies Inhibitors of Mycobacterium tuberculosis DNA Gyrase ATPase ActivityKamsri B., Pakamwong B., Thongdee P., Phusi N., Kamsri P., Punkvang A., Ketrat S., Saparpakorn P., Hannongbua S., Sangswan J., Suttisintong K., Sureram S., Kittakoop P., Kittakoop P., Kittakoop P., Hongmanee P., Santanirand P., Leanpolchareanchai J., Goudar K.E., Spencer J., Mulholland A.J., Pungpo P.2022Journal of Chemical Information and Modeling
    1
    179Key interactions of pyrimethamine derivatives specific to wild-type and mutant P. falciparum dihydrofolate reductase based on 3D-QSAR, MD simulations and quantum chemical calculationsSeetin S., Saparpakorn P., Vanichtanankul J., Vitsupakorn D., Yuthavong Y., Kamchonwongpaisan S., Hannongbua S.2022Journal of Biomolecular Structure and Dynamics
    1
    180Discovery of novel and potent InhA inhibitors by an in silico screening and pharmacokinetic predictionHanwarinroj C., Phusi N., Kamsri B., Kamsri P., Punkvang A., Ketrat S., Saparpakorn P., Hannongbua S., Suttisintong K., Kittakoop P., Kittakoop P., Kittakoop P., Spencer J., Mulholland A.J., Pungpo P.2022Future Medicinal Chemistry
    14(10),pp. 717-729
    1
    181Encapsulation of ferrocene in carbon nanotubes using low-temperature solution processing: influence of surface environment, diameter, and lengthSriyab S., Suramitr S., Hannongbua S., Prajongtat P.2018Monatshefte fur Chemie
    149(11),pp. 1963-1969
    1
    182Insight investigation of rilpivirine and compounds from mushrooms as feline immunodeficiency virus reverse transcriptase inhibitors using molecular dynamics simulations and quantum chemical calculationsSaparpakorn P., Chimprasit A., Jantarat T., Hannongbua S.2022Molecular Simulation
    1
    183Erratum: Tetrafluorinated phenylpyridine based heteroleptic iridium(iii) complexes for efficient sky blue phosphorescent organic light-emitting diodes (J. Mater. Chem. C (2020) 8 (2551–2557) DOI: 10.1039/C9TC05779J)Chen Z., Chen Z., Suramitr S., Zhu N., Ho C.L., Ho C.L., Hannongbua S., Chen S., Wong W.Y., Wong W.Y., Wong W.Y.2020Journal of Materials Chemistry C
    8(21),pp. 7256
    1
    184Investigation of rt1t49 aptamer binding to human immunodeficiency virus 1 reverse transcriptaseRatanabunyong S., Yagi-Utsumi M., Yanaka S., Kato K., Choowongkomon K., Hannongbua S.2021Journal of Current Science and Technology
    11(1),pp. 51-59
    0
    185Photophysical properties of various substituted thiophenebased heterocyclic chalcone: Experimental and DFT studiesSaengsuwan N., Klinhom N., Nakwanich B., Sriyab S., Prompinit P., Suramitr S., Hannongbua S.2019Chiang Mai Journal of Science
    46(6),pp. 1176-1190
    0
    186Predicting the binding affinity of p38 map kinase inhibitors using free energy calculationsBoonyarat W., Saparpakorn P., Hannongbua S.2019Chiang Mai Journal of Science
    46(1),pp. 93-105
    0
    187Torsional flexibility of undecorated catechol diether compound as potent NNRTI targeting HIV-1 reverse transcriptaseSomboon T., Saparpakorn P., Hannongbua S.2019Journal of Molecular Graphics and Modelling
    86,pp. 286-297
    0
    188Predicting inhibition constants of antimalarial drug compounds using support vector regressionKhamsemanan N., Nattee C., Lawtrakul L., Toochinda P., Hannongbua S.2018Journal of Nonlinear and Convex Analysis
    19(9),pp. 1555-1562
    0
    189In silico multiscale drug design to discover key structural features of potential JAK2 inhibitorsKamsri P., Punkvang A., Taveepanich S., Ketrat S., Saparpakorn P., Hannongbua S., Suttisintong K., Pangjit K., Pungpo P.2022Future medicinal chemistry
    14(18),pp. 1297-1308
    0
    1902D-QSAR and CoMFA Models for Antitubercular Activity of Scalarane-Type SesterterpenesThengyai S., Guo Y., Suwanborirux K., Berner H., Spreitzer H., Wolschann P., Hannongbua S., Plubrukarn A.2022Scientia Pharmaceutica
    90(3)
    0
    191Enhancing the Stability and Performance of Two-Dimensional Perovskite Solar Cells via Double-Step Homogeneous Precursor MixingWongkanya R., Asamo S., Dechtrirat D., Dechtrirat D., Sudchanham J., Srisamran N., Sriprachuabwong C., Tuantranont A., Chattham N., Hannongbua S., Prajongtat P.2022ACS Applied Energy Materials
    0
    192Insight into free energy and dynamic cross-correlations of residue for binding affinity of antibody and receptor binding domain SARS-CoV-2Chong W.L., Chong W.L., Saparpakorn P., Sangma C., Lee V.S., Hannongbua S.2023Heliyon
    9(1)
    0
    193Stability improvement of UV-filter between methoxy cinnamic acid derivatives and cyclodextrins inclusion complexes based on DFT and TD-DFT investigationsPromkatkaew M., Boonsri P., Suramitr S., Karpkird T., Wolschann P., Hannongbua S.2023Journal of Molecular Graphics and Modelling
    125
    0
    194Elucidation of benzene sulfonamide derivative binding at a novel interprotomer pocket of wild type and mutants of coxsackievirus B3 viral capsid using molecular dynamics simulations and density functional theoryPrapassornwattana P., Hannongbua S., Saparpakorn P.2023Biophysical Chemistry
    302
    0
    195Biophysical Characterization of p51 and p66 Monomers of HIV-1 Reverse Transcriptase with Their InhibitorsSeetaha S., Kamonsutthipaijit N., Yagi-Utsumi M., Yagi-Utsumi M., Yagi-Utsumi M., Seako Y., Seako Y., Seako Y., Yamaguchi T., Yamaguchi T., Hannongbua S., Kato K., Kato K., Kato K., Choowongkomon K.2023Protein Journal
    0
    196Combined Deep Learning and Molecular Modeling Techniques on the Virtual Screening of New mTOR Inhibitors from the Thai Mushroom DatabasePosansee K., Liangruksa M., Termsaithong T., Saparpakorn P., Hannongbua S., Laomettachit T., Sutthibutpong T.2023ACS Omega
    0
    197Development of Aldehyde Functionalized Iridium(III) Complexes Photosensitizers with Strong Visible-Light Absorption for Photocatalytic Hydrogen Generation from WaterYao X., Zhang Q., Ho P.Y., Yiu S.C., Suramitr S., Hannongbua S., Ho C.L.2023Inorganics
    11(3)
    0
    198Editorial [Hot topic: Anti-viral agents and emerging disease: Part - 1]Hannongbua S.2007Current Computer-Aided Drug Design
    3(2),pp. 85-86
    0
    199Elucidation of hydroxyl groups-antioxidant relationship in mono- and dihydroxyflavones based on O-H bond dissociation enthalpiesTreesuwan W., Suramitr S., Hannongbua S.2015Journal of Molecular Modeling
    21(6)
    0
    200Electronic structure and optical properties of conjugated molecules: SAC-CI studyEhara M., Ehara M., Saha B., Poolmee P., Promkatkaew M., Hannongbua S., Lu Y.P., Nakatsuji H., Nakatsuji H.2012AIP Conference Proceedings
    1504,pp. 279-290
    0
    201Electronic structure and optical properties of conjugated molecules: SAC-CI studyEhara M., Ehara M., Lu Y., Promkatkaew M., Hannongbua S.2012AIP Conference Proceedings
    1504,pp. 848-851
    0
    202Elucidating the action mode of the bi-substrate inhainhibitors as anti-tuberculosis agents through molecular dynamics simulationsPunkvang A., Kamsri P., Kasamsri D., Srisupan A., Saparpakorn P., Hannongbua S., Wolschann P., Prueksaaroon S., Pungpo P.2012Tuberculosis: Risk Factors, Drug Resistance and Treatment
    ,pp. 169-180
    0
    203PrefaceHannongbua S., Grudpan K.2012Pure and Applied Chemistry
    84(10),pp. 4
    0
    204Structural and electronic properties of poly(fluorene-pyrrole) copolymer: Time dependent density functional theory investigationChidthong R., Maitarat P., Hannongbua S.2010INEC 2010 - 2010 3rd International Nanoelectronics Conference, Proceedings
    ,pp. 600-601
    0