Interest


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 7 โครงการ (หัวหน้าโครงการ 4 โครงการ, ผู้ร่วมวิจัย 2 โครงการ, หัวหน้าโครงการย่อย 1 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
679
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
353
3The importance of the domain of applicability in QSAR modelingWeaver S., Gleeson M.2008Journal of Molecular Graphics and Modelling
26(8),pp. 1315-1326
244
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
124
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
100
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
93
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
71
8The 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
69
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
66
10Generation 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
64
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
64
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
48
13Towards reproducible computational drug discoverySchaduangrat N., Lampa S., Simeon S., Gleeson M.P., Spjuth O., Nantasenamat C.2020Journal of Cheminformatics
12(1)
45
14A 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
28
15Elucidating 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
26
16Assessing 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
26
17Towards 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
22
18Application 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
20
19Strategies 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
19
20Synthesis 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
19
21Theoretical 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
19
22Computational 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
18
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
16
24Evaluation 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
16
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
15
26Recent 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
27Effect 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
14
28Probing 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
29Insight 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
30ZrCl4-promoted facile synthesis of indole derivativesTummatorn J., Gleeson M.P., Krajangsri S., Thongsornkleeb C., Ruchirawat S.2014RSC Advances
4(38),pp. 20048-20052
11
31Probing 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
10
32Design, 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
10
33Enhancement 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
34Probing 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
35Evaluating 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
36Application of QM/MM and QM methods to investigate histone deacetylase 8Gleeson D., Gleeson M.2015MedChemComm
6(3),pp. 477-485
9
37PepBio: 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
38The 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
39Investigation 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)
8
40Small-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
8
41Synthesis 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
8
42QM 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
43Exploring 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
7
44Theoretical 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
6
45Elucidation 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
5
46QM/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
5
47Ring 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
48QM/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
49Photophysical 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
50In 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
5
51Design, 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
5
52Elucidation 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)
4
53Mechanistic 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
54Molecular 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
4
55Insights 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
4
56Theoretical 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
3
57An 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
3
58Synthesis, 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
2
59Insight 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
60QM/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
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)
2
62Slight 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
1
63Preparation, 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
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
65Multiobjective Optimization of Biological and Physical Properties in Drug DiscoveryGleeson M., Montanari D.2017Comprehensive Medicinal Chemistry III
2-8,pp. 64-93
1
66Correction: Application of QM/MM and QM methods to investigate histone deacetylase 8Gleeson D., Gleeson M.2015MedChemComm
6(9),pp. 1699
1
67The 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
1
68Quantitative 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
69Quinazoline-based human phosphodiesterase 5 inhibitors exhibited a selective vasorelaxant effect on rat isolated pulmonary arteries involving NO-sGC-cGMP pathway and calcium inhibitory effectsChatturong U., Chatturong U., Martin H., Totoson P., Ingkaninan K., Temkitthawon P., Sermsenaphorn S., Somarin T., Konsue A., Gleeson M.P., Demougeot C., Chootip K.2022Vascular Pharmacology
147
0
70DFT Investigation of the catalytic conversion of acetic acid to acetone on the zeolite H-ZSM5Konsue A., Gleeson M.P., Gleeson D.2022Molecular Catalysis
533
0
71Preparation, biological evaluation and QSAR analysis of urea substituted 2,4-diamino-pyrimidine anti-malarialsToviwek B., Toviwek B., Riley J., Mutter N., Anderson M., Webster L., Hallyburton I., Gleeson D., Read K.D., Gleeson M.P.2022RSC Medicinal Chemistry
0