Gleeson MP - Search Results

1

Towards reproducible computational drug discovery.

Schaduangrat N, Lampa S, Simeon S, Gleeson MP, Spjuth O, Nantasenamat C. Schaduangrat N, et al. Among authors: gleeson mp. J Cheminform. 2020 Jan 28;12(1):9. doi: 10.1186/s13321-020-0408-x. J Cheminform. 2020. PMID: 33430992 Free PMC article. Review.

2

Towards Predicting the Cytochrome P450 Modulation: From QSAR to Proteochemometric Modeling.

Shoombuatong W, Prathipati P, Prachayasittikul V, Schaduangrat N, Malik AA, Pratiwi R, Wanwimolruk S, Wikberg JES, Gleeson MP, Spjuth O, Nantasenamat C. Shoombuatong W, et al. Among authors: gleeson mp. Curr Drug Metab. 2017 Jul 21;18(6):540-555. doi: 10.2174/1389200218666170320121932. Curr Drug Metab. 2017. PMID: 28322159 Review.

3

Synthesis, Plasmodium falciparum Inhibitory Activity, Cytotoxicity and Solubility of N2 ,N4 -Disubstituted Quinazoline-2,4-diamines.

Pobsuk N, Suphakun P, Hannongbua S, Nantasenamat C, Choowongkomon K, Gleeson MP. Pobsuk N, et al. Among authors: gleeson mp. Med Chem. 2019;15(6):693-704. doi: 10.2174/1573406415666181219100307. Med Chem. 2019. PMID: 30569870

4

Investigation of Factors Affecting the Performance of in silico Volume Distribution QSAR Models for Human, Rat, Mouse, Dog & Monkey.

Simeon S, Montanari D, Gleeson MP. Simeon S, et al. Among authors: gleeson mp. Mol Inform. 2019 Oct;38(10):e1900059. doi: 10.1002/minf.201900059. Epub 2019 Aug 2. Mol Inform. 2019. PMID: 31373157

5

Insights into the EGFR SAR of N-phenylquinazolin-4-amine-derivatives using quantum mechanical pairwise-interaction energies.

Simeon S, Jongkon N, Chotpatiwetchkul W, Gleeson MP. Simeon S, et al. Among authors: gleeson mp. J Comput Aided Mol Des. 2019 Aug;33(8):745-757. doi: 10.1007/s10822-019-00221-z. Epub 2019 Sep 7. J Comput Aided Mol Des. 2019. PMID: 31494804

6

In-silico ADME models: a general assessment of their utility in drug discovery applications.

Gleeson MP, Hersey A, Hannongbua S. Gleeson MP, et al. Curr Top Med Chem. 2011;11(4):358-81. doi: 10.2174/156802611794480927. Curr Top Med Chem. 2011. PMID: 21320065 Review.

7

Computational investigation of the radical-mediated mechanism of formation of difluoro methyl oxindoles: Elucidation of the reaction selectivity and yields.

Somnarin T, Krawmanee P, Gleeson MP, Gleeson D. Somnarin T, et al. Among authors: gleeson mp. J Comput Chem. 2023 Feb 15;44(5):670-676. doi: 10.1002/jcc.27031. Epub 2022 Nov 18. J Comput Chem. 2023. PMID: 36398747

8

Comparison of feline and human immunodeficiency virus reverse transcriptase enzymes through chemical screening and computational analysis.

Thammajong P, Aiebchun T, Boonyarattanakalin K, Gleeson D, Pobsuk N, Hannongbua S, Choowongkomon K, Gleeson MP. Thammajong P, et al. Among authors: gleeson mp. Chem Biol Drug Des. 2024 May;103(5):e14530. doi: 10.1111/cbdd.14530. Chem Biol Drug Des. 2024. PMID: 38725091

9

Probing the links between in vitro potency, ADMET and physicochemical parameters.

Gleeson MP, Hersey A, Montanari D, Overington J. Gleeson MP, et al. Nat Rev Drug Discov. 2011 Mar;10(3):197-208. doi: 10.1038/nrd3367. Nat Rev Drug Discov. 2011. PMID: 21358739 Free PMC article. Review.

10

Application of drug efficiency index in drug discovery: a strategy towards low therapeutic dose.

Montanari D, Chiarparin E, Gleeson MP, Braggio S, Longhi R, Valko K, Rossi T. Montanari D, et al. Among authors: gleeson mp. Expert Opin Drug Discov. 2011 Sep;6(9):913-20. doi: 10.1517/17460441.2011.602968. Epub 2011 Jul 22. Expert Opin Drug Discov. 2011. PMID: 22646214

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