Person Image

    Education

    • วท.บ.(เคมี), มหาวิทยาลัยเกษตรศาสตร์, ไทย, 2543
    • ปร.ด.(เคมี), มหาวิทยาลัยเกษตรศาสตร์, ไทย, 2549

    Expertise Cloud

    (+)-Calanolide A3D-QSARAbsorptionacetylcholinesteraseAcetylcholinesterase inhibitorActive compoundsadenosine triphosphataseAdenosine TriphosphatasesAdenylyl ImidodiphosphateAlzheimerAlzheimer’s diseaseAlzheimer's diseaseAlzheimer's disease (AD)AMBERAmino acidsANGSTROM RESOLUTIONAnti tubercularsanti?snake venom metalloproteinase activityantibacterial activityAnti-canceranticodon-bindinganti-hepatotoxicanti-inflammatoryAntimalarialAntimalarialsantimicrobial resistanceantioxidantAntitubercular AgentsAnti-tuberculosis agentsArylamideATP-ase activityAzanaphthoquinoneBinding energyBinding SitesBioinformaticsBiological assaysBreast CancerCalloselasma rhodostomachemistrychitosanCOVID-19CytotoxicityDAPYdengue virusdensity functional theoryDipalmitoylphosphatidylcholine (DPPC)DNADNA gyrasesdockingenoyl-ACP reductaseFluoroquinolonesGOLD dockingHIV-1HIV-1 Reverse TranscriptaseHIV-1 RTHQSARhumanHuman serum albuminHumansHydrogen bondsHydrophobicityInhAInhA inhibitorligandM. tuberculosisMangifera indica L.MD simulationMD simulationsMM-GBSAMM-PBSAMolecular DockingMolecular Docking Simulationmolecular docking studymolecular dynamicsMolecular Dynamics SimulationMolecular dynamics simulationsMolecular modelingMycobacterium tuberculosisNaja naja kaouthiaN-BenzylpyridiniumNNRTIONIOMPentagalloylglucopyranosePolyphenolsproteaseProtein kinase BQM/MMQSARquantum chemical calculationsretinolSilksimulationtuberculosistuberculostatic agentTubes (components)X-ray Crystallographyการจำลองพลวัตเชิงโมเลกุลตัวยับยั้งไวรัสเดงกี่เอ็นเอส 3 โปรตีเอส

    Interest

    Computer-Aided Drug Design, Virtual Screening, Molecular Docking

    Resource

    • จำนวนหน่วยปฏิบัติการที่เข้าร่วม 0 หน่วย
    • จำนวนเครื่องมือวิจัย 0 ชิ้น

    งานวิจัยในรอบ 5 ปี

    Project

    งานวิจัยที่อยู่ระหว่างการดำเนินการ
    • ทุนใน 3 โครงการ (หัวหน้าโครงการ 2 โครงการ, หัวหน้าโครงการย่อย 1 โครงการ)
    • ทุนนอก 0 โครงการ
    งานวิจัยที่เสร็จสิ้นแล้ว
    • ทุนใน 8 โครงการ (หัวหน้าโครงการ 4 โครงการ, ผู้ร่วมวิจัย 2 โครงการ, หัวหน้าโครงการย่อย 2 โครงการ)
    • ทุนนอก 7 โครงการ (หัวหน้าโครงการ 3 โครงการ, ผู้ร่วมวิจัย 4 โครงการ)

    แนวโน้มผลงานทั้งหมดเทียบกับแนวโน้มผลงานในรอบ 5 ปี

    Output

    • บทความ 121 เรื่อง (ตีพิมพ์ในวารสารวิชาการ 67 เรื่อง, นำเสนอในการประชุม/สัมมนา 54 เรื่อง)
    • ทรัพย์สินทางปัญญา 0 เรื่อง (ลิขสิทธิ์ 0 เรื่อง, เครื่องหมายการค้า 0 เรื่อง, อนุสิทธิบัตร 0 เรื่อง, สิทธิบัตร 0 เรื่อง)
    • สิ่งประดิษฐ์ 0 เรื่อง (ขึ้นทะเบียนพันธุ์พืช หรือพันธุ์สัตว์ หรือสิ่งประดิษฐ์ มก. 0 เรื่อง)
    • Unknown 0 เรื่อง (Unknown 0 เรื่อง)

    แนวโน้มการนำผลงานไปใช้ประโยชน์ในด้านต่างๆ

    Outcome

    • การนำผลงานไปใช้ประโยชน์ 18 เรื่อง (เชิงวิชาการ 17 เรื่อง, เชิงนโยบาย/บริหาร 0 เรื่อง, เชิงสาธารณะ 1 เรื่อง, เชิงพาณิชย์ 0 เรื่อง)

    รางวัลที่ได้รับ

    Award

    • รางวัลที่ได้รับ 2 เรื่อง (ประกาศเกียรติคุณ/รางวัลนักวิจัย 0 เรื่อง, รางวัลผลงานวิจัย/สิ่งประดิษฐ์ 2 เรื่อง, รางวัลผลงานนำเสนอในการประชุมวิชาการ 0 เรื่อง)

    นักวิจัยที่มีผลงานงานร่วมกันมากที่สุด 10 คนแรก


    Scopus h-index

    #Document titleAuthorsYearSourceCited by
    1Competitive 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
    2Molecular docking studies and anti-tyrosinase activity of thai mango seed kernel extractNithitanakool S., Pithayanukul P., Bavovada R., Saparpakorn P.2009Molecules
    14(1),pp. 257-265
    57
    3Investigating 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
    4Chaetoglobins 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
    5Molecular docking studies and anti-enzymatic activities of thai mango seed kernel extract against snake venomsLeanpolchareanchai J., Pithayanukul P., Bavovada R., Saparpakorn P.2009Molecules
    14(4),pp. 1404-1422
    44
    6Molecular docking studies and anti-snake venom metalloproteinase activity of thai mango seed kernel extractPithayanukul P., Leanpolchareanchai J., Saparpakorn P.2009Molecules
    14(9),pp. 3198-3213
    44
    7Molecular epidemiology of norovirus associated with gastroenteritis and emergence of norovirus GII.4 variant 2012 in Japanese pediatric patientsThongprachum A., Thongprachum A., Chan-it W., Khamrin P., Saparpakorn P., Okitsu S., Okitsu S., Takanashi S., Mizuguchi M., Hayakawa S., Maneekarn N., Ushijima H., Ushijima H.2014Infection, Genetics and Evolution
    23,pp. 65-73
    36
    8Magnetic carbon nanofiber composite adsorbent through green in-situ conversion of bacterial cellulose for highly efficient removal of bisphenol AThaveemas P., Chuenchom L., Kaowphong S., Techasakul S., Saparpakorn P., Dechtrirat D., Dechtrirat D.2021Bioresource Technology
    333
    33
    9Binding 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
    32
    10Discovery 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
    31
    11Camellia sinensis L. Extract and its potential beneficial effects in antioxidant, anti-inflammatory, anti-hepatotoxic, and anti-tyrosinase activitiesThitimuta S., Pithayanukul P., Nithitanakool S., Bavovada R., Leanpolchareanchai J., Saparpakorn P.2017Molecules
    22(3)
    30
    12Investigation 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
    28
    13A facile one-pot green synthesis of gold nanoparticle-graphene-PEDOT:PSS nanocomposite for selective electrochemical detection of dopaminePananon P., Sriprachuabwong C., Sriprachuabwong C., Wisitsoraat A., Chuysinuan P., Tuantranont A., Saparpakorn P., Dechtrirat D.2018RSC Advances
    8(23),pp. 12724-12732
    27
    14Synthesis and anti-acetylcholinesterase activity of scopoletin derivativesKhunnawutmanotham N., Chimnoi N., Saparpakorn P., Techasakul S., Techasakul S.2016Bioorganic Chemistry
    65,pp. 137-145
    27
    15Understanding the effects of two bound glucose in Sudlow site I on structure and function of human serum albumin: theoretical studiesAwang T., Wiriyatanakorn N., Saparpakorn P., Japrung D., Pongprayoon P.2017Journal of Biomolecular Structure and Dynamics
    35(4),pp. 781-790
    22
    16Chevalone 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
    17Structure 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
    18Computer-aided molecular design of highly potent HIV-1 RT inhibitors: 3D QSAR and molecular docking studies of efavirenz derivativesPungpo P., Saparpakorn P., Wolschann P., Hannongbua S.2006SAR and QSAR in Environmental Research
    17(4),pp. 353-370
    18
    19Binding 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
    15
    20NMR 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
    21Insight 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
    22Particular 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
    23Terezine 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
    24Elucidating 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
    25Insight 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
    26Rational design of InhA inhibitors in the class of diphenyl ether derivatives as potential anti-tubercular agents using molecular dynamics simulationsKamsri P., Koohatammakun N., Srisupan A., Meewong P., Punkvang A., Saparpakorn P., Hannongbua S., Wolschann P., Prueksaaroon S., Leartsakulpanich U., Pungpo P.2014SAR and QSAR in Environmental Research
    25(6),pp. 473-488
    11
    27A 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
    28Elucidating 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
    29Adsorption 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
    30Identification 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
    9
    31Divide-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
    32Design of nevirapine derivatives insensitive to the K103N and Y181C HIV-1 reverse transcriptase mutantsSaparpakorn P., Hannongbua S., Rognan D.2006SAR and QSAR in Environmental Research
    17(2),pp. 183-194
    7
    33Recent 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
    34Substrate 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
    35Exploring 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
    36Novel 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
    37Synthesis of 3-aminocoumarin-N-benzylpyridinium conjugates with nanomolar inhibitory activity against acetylcholinesteraseKhunnawutmanotham N., Laongthipparos C., Saparpakorn P., Chimnoi N., Techasakul S.2018Beilstein Journal of Organic Chemistry
    14,pp. 2545-2552
    7
    38Alkali-treated starches as a new class of templates for CaCO3 spherulite formation: Experimental and theoretical studiesPrajongtat P., Saparpakorn P., Asamo S., Hongsprabhas P., Israkarn K., Israkarn K.2019Journal of Crystal Growth
    522,pp. 45-52
    7
    39Roles 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
    6
    40Elucidating 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
    41Dipyridodiazepinone 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
    42Use 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
    43Virtual 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
    4
    44In 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
    45Investigating the binding affinities of fructose and galactose to human serum albumin: simulation studiesAwang T., Niramitranon J., Japrung D., Saparpakorn P., Pongprayoon P.2021Molecular Simulation
    4
    46Divide-and-conquer electronic-structure study on the mechanism of the west nile virus NS3 protease inhibitorSaparpakorn P., Saparpakorn P., Kobayashi M., Kobayashi M., Nakai H., Nakai H.2013Bulletin of the Chemical Society of Japan
    86(1),pp. 67-74
    4
    47New 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
    48Crystal structure of 5-[(benzoyloxy)methyl]-5,6- dihydroxy-4-oxocyclohex-2-en-1-yl benzoateLeepasert T., Saparpakorn P., Chainok K., Duangthongyou T.2020Acta Crystallographica Section E: Crystallographic Communications
    76,pp. 1096-1100
    3
    49Structural 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
    3
    50Systematic 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
    51Key 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
    52Theoretical 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
    53Key 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
    54Diptoindonesin 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
    55Structural analysis of the coronavirus main protease for the design of pan-variant inhibitorsRungruangmaitree R., Phoochaijaroen S., Chimprasit A., Saparpakorn P., Pootanakit K., Tanramluk D., Tanramluk D.2023Scientific Reports
    13(1)
    2
    56Insight 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
    57Bioisosteric 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
    58Key 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
    59Discovery 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
    60Molecular 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
    61Anticodon-binding domain swapping in a nondiscriminating aspartyl-tRNA synthetase reveals contributions to tRNA specificity and catalytic activityChuawong P., Likittrakulwong W., Likittrakulwong W., Suebka S., Suebka S., Wiriyatanakorn N., Saparpakorn P., Taweesablamlert A., Sudprasert W., Hendrickson T., Svasti J.2020Proteins: Structure, Function and Bioinformatics
    88(9),pp. 1133-1142
    0
    62Elucidating 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
    63Torsional 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
    64Predicting 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
    65In 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
    66Insight 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
    67Combined 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
    68Synthesis and Acetylcholinesterase Inhibitory Evaluation of Coumarin-Linked Carbazole DerivativesTharamak S., Wisarutwanit T., Songoen W., Saparpakorn P., Pluempanupat W.2023ChemistrySelect
    8(46)
    0
    69Synthesis, Antiacetylcholinesterase Activity, and Molecular Dynamics Simulation of Aporphine-benzylpyridinium ConjugatesKhunnawutmanotham N., Sooknual P., Batsomboon P., Ploypradith P., Ploypradith P., Chimnoi N., Patigo A., Saparpakorn P., Techasakul S.2023ACS Medicinal Chemistry Letters
    0
    70Elucidation 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