Interest


Administrative Profile


    Resource

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

    งานวิจัยในรอบ 5 ปี

    Project

    งานวิจัยที่อยู่ระหว่างการดำเนินการ
    • ทุนใน 5 โครงการ (หัวหน้าโครงการ 4 โครงการ, หัวหน้าโครงการย่อย 1 โครงการ)
    • ทุนนอก 0 โครงการ
    งานวิจัยที่เสร็จสิ้นแล้ว
    • ทุนใน 5 โครงการ (หัวหน้าโครงการ 3 โครงการ, ผู้ร่วมวิจัย 2 โครงการ)
    • ทุนนอก 4 โครงการ (หัวหน้าโครงการ 3 โครงการ, ผู้ร่วมวิจัย 1 โครงการ)

    แนวโน้มผลงานทั้งหมดเทียบกับแนวโน้มผลงานในรอบ 5 ปี

    Output

    • บทความ 33 เรื่อง (ตีพิมพ์ในวารสารวิชาการ 32 เรื่อง, นำเสนอในการประชุม/สัมมนา 1 เรื่อง)

    แนวโน้มการนำผลงานไปใช้ประโยชน์ในด้านต่างๆ

    Outcome

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

    รางวัลที่ได้รับ

    Award

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

    นักวิจัยที่มีผลงานงานร่วมกันมากที่สุด 10 คนแรก


    Scopus h-index

    #Document titleAuthorsYearSourceCited by
    1Generation of a set of simple, interpretable ADMET rules of thumbGleeson M.P.2008Journal of Medicinal Chemistry
    51(4),pp. 817-834
    632
    2Probing the links between in vitro potency, ADMET and physicochemical parametersGleeson M., Hersey A., Montanari D., Montanari D., Overington J.2011Nature Reviews Drug Discovery
    10(3),pp. 197-208
    327
    3The importance of the domain of applicability in QSAR modelingWeaver S., Gleeson M.2008Journal of Molecular Graphics and Modelling
    26(8),pp. 1315-1326
    230
    4In-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
    108
    5Plasma protein binding affinity and its relationship to molecular structure: An in-silico analysisGleeson M.P.2007Journal of Medicinal Chemistry
    50(1),pp. 101-112
    96
    6ADMET rules of thumb II: A comparison of the effects of common substituents on a range of ADMET parametersGleeson P., Bravi G., Modi S., Lowe D.2009Bioorganic and Medicinal Chemistry
    17(16),pp. 5906-5919
    88
    7In silico human and rat Vss quantitative structure-activity relationship modelsGleeson M., Gleeson M., Waters N., Paine S., Davis A.2006Journal of Medicinal Chemistry
    49(6),pp. 1953-1963
    70
    8Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR modelsGleeson M., Gleeson M., Davis A., Chohan K., Paine S., Boyer S., Gavaghan C., Arnby C., Kankkonen C., Albertson N.2007Journal of Computer-Aided Molecular Design
    21(10-11),pp. 559-573
    63
    9QM/MM calculations in drug discovery: A useful method for studying binding phenomena?Gleeson M., Gleeson D.2009Journal of Chemical Information and Modeling
    49(3),pp. 670-677
    61
    10The 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
    60
    11Influenza A virus molecularly imprinted polymers and their application in virus sub-type classificationWangchareansak T., Wangchareansak T., Thitithanyanont A., Chuakheaw D., Gleeson M., Lieberzeit P., Sangma C.2013Journal of Materials Chemistry B
    1(16),pp. 2190-2197
    46
    12QM/MM as a tool in fragment based drug discovery. A cross-docking, rescoring study of kinase inhibitorsGleeson M.P., Gleeson M.P., Gleeson D.2009Journal of Chemical Information and Modeling
    49(6),pp. 1437-1448
    44
    13Assessing the drug-likeness of lamellarins, a marine-derived natural product class with diverse oncological activitiesChittchang M., Paul Gleeson M., Paul Gleeson M., Ploypradith P., Ruchirawat S.2010European Journal of Medicinal Chemistry
    45(6),pp. 2165-2172
    23
    14Elucidating 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
    23
    15A novel approach to identify molecular binding to the influenza virus H5N1: Screening using molecularly imprinted polymers (MIPs)Wangchareansak T., Thitithanyanont A., Chuakheaw D., Gleeson M., Lieberzeit P., Sangma C.2014MedChemComm
    5(5),pp. 617-621
    20
    16Towards reproducible computational drug discoverySchaduangrat N., Lampa S., Simeon S., Gleeson M.P., Spjuth O., Nantasenamat C.2020Journal of Cheminformatics
    12(1)
    20
    17Application of drug efficiency index in drug discovery: A strategy towards low therapeutic doseMontanari D., Montanari D., Chiarparin E., Chiarparin E., Gleeson M.P., Gleeson M.P., Braggio S., Braggio S., Longhi R., Longhi R., Valko K., Valko K., Rossi T., Rossi T.2011Expert Opinion on Drug Discovery
    6(9),pp. 913-920
    19
    18Synthesis of substituted 2-arylindanes from e -(2-stilbenyl)methanols via lewis acid-mediated cyclization and nucleophililc transfer from trialkylsilyl reagentsSarnpitak P., Trongchit K., Kostenko Y., Sathalalai S., Gleeson M., Ruchirawat S., Ruchirawat S., Ploypradith P., Ploypradith P.2013Journal of Organic Chemistry
    78(17),pp. 8281-8296
    18
    19Towards predicting the cytochrome P450 modulation: From QSAR to proteochemometric modelingShoombuatong W., Prathipati P., Prachayasittikul V., Schaduangrat N., Malik A.A., Pratiwi R., Wanwimolruk S., Wikberg J.E.S., Gleeson M.P., Spjuth O., Nantasenamat C.2017Current Drug Metabolism
    18(6),pp. 540-555
    18
    20Theoretical analysis of peptidyl α-ketoheterocyclic inhibitors of human neutrophil elastase: Insight into the mechanism of inhibition and the application of QM/MM calculations in structure-based drug designGleeson M., Hillier I., Burton N.2004Organic and Biomolecular Chemistry
    2(16),pp. 2275-2280
    18
    21Computational study of EGFR inhibition: Molecular dynamics studies on the active and inactive protein conformationsSongtawee N., Gleeson M., Choowongkomon K.2013Journal of Molecular Modeling
    19(2),pp. 497-509
    17
    22Strategies for the generation, validation and application of in silico ADMET models in lead generation and optimizationGleeson M., Montanari D., Montanari D.2012Expert Opinion on Drug Metabolism and Toxicology
    8(11),pp. 1435-1446
    16
    23Skin 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
    14
    24Recent advances in quantum mechanical/molecular mechanical calculations of enzyme catalysis: Hydrogen tunnelling in liver alcohol dehydrogenase and inhibition of elastase by α-ketoheterocyclesTresadern G., Faulder P., Gleeson M., Tai Z., MacKenzie G., Burton N., Hillier I.2003Theoretical Chemistry Accounts
    109(3),pp. 108-117
    14
    25Prediction of the potency of inhibitors of adenosine deaminase by QM/MM calculationsGleeson M.P., Burton N.A., Hillier I.H.2003Chemical Communications
    3(17),pp. 2180-2181
    14
    26Probing the binding site characteristics of HSA: A combined molecular dynamics and cheminformatics investigationPongprayoon P., Gleeson M.2014Journal of Molecular Graphics and Modelling
    54,pp. 164-173
    13
    27Evaluation 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
    12
    28Insight 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)
    11
    29Effect of titanium-tetraisopropoxide concentration on the photocatalytic efficiency of nanocrystalline thin films TiO 2 used for the photodegradation of textile dyesFagnern N., Leotphayakkarat R., Chawengkijwanich C., Gleeson M., Koonsaeng N., Sanguanruang S.2012Journal of Physics and Chemistry of Solids
    73(12),pp. 1483-1486
    11
    30ZrCl4-promoted facile synthesis of indole derivativesTummatorn J., Gleeson M.P., Krajangsri S., Thongsornkleeb C., Ruchirawat S.2014RSC Advances
    4(38),pp. 20048-20052
    10
    31Enhancement 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
    32Probing the structural and electronic factors affecting the adsorption and reactivity of alkenes in acidic zeolites using DFT calculations and multivariate statistical methodsTantanak D., Limtrakul J., Gleeson M.P.2005Journal of Chemical Information and Modeling
    45(5),pp. 1303-1312
    10
    33Evaluating the enthalpic contribution to ligand binding using QM calculations: Effect of methodology on geometries and interaction energiesGleeson D., Tehan B., Gleeson M., Limtrakul J.2012Organic and Biomolecular Chemistry
    10(35),pp. 7053-7061
    9
    34Probing the Catalytic Mechanism Involved in the Isocitrate Lyase Superfamily: Hybrid Quantum Mechanical/Molecular Mechanical Calculations on 2,3-Dimethylmalate LyaseJongkon N., Chotpatiwetchkul W., Gleeson M.2015Journal of Physical Chemistry B
    119(35),pp. 11473-11484
    9
    35Application of QM/MM and QM methods to investigate histone deacetylase 8Gleeson D., Gleeson M.2015MedChemComm
    6(3),pp. 477-485
    8
    36PepBio: Predicting the bioactivity of host defense peptidesSimeon S., Simeon S., Li H., Win T.S., Malik A.A., Kandhro A.H., Piacham T., Shoombuatong W., Nuchnoi P., Wikberg J.E.S., Gleeson M.P., Nantasenamat C.2017RSC Advances
    7(56),pp. 35119-35134
    8
    37The mechanism of adenosine deaminase catalysis studied by QM/MM calculations: The role of histidine 238 and the activity of the alanine 238 mutantPaul Gleeson M., Burton N.A., Hillier I.H.2003Physical Chemistry Chemical Physics
    5(19),pp. 4272-4278
    8
    38Design, synthesis, and evaluation of the anticancer activity of 2-amino-aryl-7-aryl-benzoxazole compoundsKhajondetchairit P., Phuangsawai O., Phuangsawai O., Suphakun P., Rattanabunyong S., Choowongkomon K., Gleeson M., Gleeson M.2017Chemical Biology and Drug Design
    90(5),pp. 987-994
    7
    39Synthesis 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
    7
    40QM 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
    41Small-Molecule Dengue Virus Co-imprinting and Its Application as an Electrochemical SensorSukjee W., Tancharoen C., Yenchitsomanus P., Gleeson M., Sangma C.2017ChemistryOpen
    6(3),pp. 340-344
    6
    42Exploring the catalytic mechanism of dihydropteroate synthase: Elucidating the differences between the substrate and inhibitorChotpatiwetchkul W., Boonyarattanakalin K., Gleeson D., Gleeson M.2017Organic and Biomolecular Chemistry
    15(26),pp. 5593-5601
    6
    43Ring opening polymerization of mannosyl tricyclic orthoesters: Rationalising the stereo and regioselectivity of glycosidic bond formation using quantum chemical calculationsBoonyarattanakalin S., Ruchirawat S., Gleeson M.P.2013MedChemComm
    4(1),pp. 265-268
    5
    44Investigation of Factors Affecting the Performance of in silico Volume Distribution QSAR Models for Human, Rat, Mouse, Dog & MonkeySimeon S., Montanari D., Gleeson M.P., Gleeson M.P.2019Molecular Informatics
    38(10)
    5
    45Theoretical Investigation of the Enantioselective [4 + 2] Cycloaddition Reaction of o-Hydroxystyrene and AzlactoneJensupakarn N., Gleeson M., Gleeson D., Boonyarattanakalin K.2019Journal of Organic Chemistry
    84(7),pp. 4025-4032
    5
    46QM/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
    47Photophysical 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
    48Design, 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
    4
    49Mechanistic 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
    50Elucidation of the catalytic mechanism of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase using QM/MM calculationsJongkon N., Gleeson D., Gleeson M.2018Organic and Biomolecular Chemistry
    16(34),pp. 6239-6249
    4
    51Molecular dynamics investigation of psalmopeotoxin I. Probing the relationship between 3D structure, anti-malarial activity and thermal stabilityGleeson M.P., Deechongkit S., Ruchirawat S.2011Journal of Molecular Modeling
    17(4),pp. 769-775
    3
    52Insights into the EGFR SAR of N-phenylquinazolin-4-amine-derivatives using quantum mechanical pairwise-interaction energiesSimeon S., Jongkon N., Chotpatiwetchkul W., Gleeson M.P., Gleeson M.P.2019Journal of Computer-Aided Molecular Design
    33(8),pp. 745-757
    2
    53QM/MM Investigation for Protonation States in a Bilin Reductase PcyA-Biliverdin IXɑ ComplexIijima E., Gleeson M., Gleeson M., Unno M., Mori S.2018ChemPhysChem
    19(15),pp. 1809-1813
    2
    54QM/MM and molecular dynamics investigation of the mechanism of covalent inhibition of TAK1 kinaseToviwek B., Gleeson D., Gleeson M.P., Gleeson M.P.2021Organic and Biomolecular Chemistry
    19(6),pp. 1412-1425
    2
    55In silico identification and in vitro validation of nogalamycin N-oxide (NSC116555) as a potent anticancer compound against non–small-cell lung cancer cellsObounchoey P., Tabtimmai L., Suphakun P., Thongkhao K., Eurtivong C., Gleeson M.P., Choowongkomon K.2019Journal of Cellular Biochemistry
    120(3),pp. 3353-3361
    2
    56Elucidation 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)
    2
    57Insight 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
    58Quantitative 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
    59Synthesis, 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
    1
    60An influenza A virus agglutination test using antibody-like polymersSukjee W., Thitithanyanont A., Wiboon-ut S., Lieberzeit P., Paul Gleeson M., Navakul K., Sangma C.2017Journal of Biomaterials Science, Polymer Edition
    28(15),pp. 1786-1795
    1
    61Theoretical studies to estimate the skin sensitization potential of chemicals of the Schiff base domainGleeson D., Gleeson M.P.2020International Journal of Quantum Chemistry
    120(12)
    1
    62Multiobjective Optimization of Biological and Physical Properties in Drug DiscoveryGleeson M., Montanari D.2017Comprehensive Medicinal Chemistry III
    2-8,pp. 64-93
    1
    63Theoretical Evaluation of the Reaction Mechanism of Serine HydroxymethyltransferaseSantatiwongchai J., Gleeson D., Gleeson M.P., Gleeson M.P.2019Journal of Physical Chemistry B
    123(2),pp. 407-418
    1
    64Assessment of high transparency nanocrystalline TiO2 thin films and their photocatalytic removal of pollutant dyeLeotphayakkarat R., Fangern N., Paul Gleeson M., Sanguanruang S.2012Advanced Science Letters
    13,pp. 327-331
    1
    65Correction: Application of QM/MM and QM methods to investigate histone deacetylase 8Gleeson D., Gleeson M.2015MedChemComm
    6(9),pp. 1699
    1
    66Slight ligand modifications within multitopic linear hydroxamates promotes connectivity differences in Cu(ii) 1-D coordination polymersFugu M.B., Coley J., Dickinson I.F., Orton J.B., Klooster W., Gleeson M.P., Jones L.F., Jones L.F.2021CrystEngComm
    23(32),pp. 5531-5539
    0
    67Preparation, 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
    0
    68The Effect of the EGFR - Targeting Compound 3-[(4-Phenylpyrimidin-2-yl) Amino] Benzene-1-Sulfonamide (13f) against Cholangiocarcinoma Cell LinesSamatiwat P., Tabtimmai L., Suphakun P., Jiwacharoenchai N., Toviwek B., Kukongviriyapan V., Gleeson M.P., Choowongkomon K.2021Asian Pacific Journal of Cancer Prevention
    22(2),pp. 381-390
    0