Gleeson D - Search Results

1

Computational design, synthesis and biological evaluation of PDE5 inhibitors based on N²,N⁴-diaminoquinazoline and N²,N⁶-diaminopurine scaffolds.

Somnarin T, Pobsuk N, Chantakul R, Panklai T, Temkitthawon P, Hannongbua S, Chootip K, Ingkaninan K, Boonyarattanakalin K, Gleeson D, Paul Gleeson M. Somnarin T, et al. Among authors: gleeson d. Bioorg Med Chem. 2022 Dec 15;76:117092. doi: 10.1016/j.bmc.2022.117092. Epub 2022 Nov 17. Bioorg Med Chem. 2022. PMID: 36450167

2

QM methods in structure based design: utility in probing protein-ligand interactions.

Gleeson MP, Hannongbua S, Gleeson D. Gleeson MP, et al. Among authors: gleeson d. J Mol Graph Model. 2010 Dec;29(4):507-17. doi: 10.1016/j.jmgm.2010.09.012. Epub 2010 Oct 8. J Mol Graph Model. 2010. PMID: 21075029

3

Skin sensitization prediction using quantum chemical calculations: a theoretical model for the S(N)Ar domain.

Promkatkaew M, Gleeson D, Hannongbua S, Gleeson MP. Promkatkaew M, et al. Among authors: gleeson mp, gleeson d. Chem Res Toxicol. 2014 Jan 21;27(1):51-60. doi: 10.1021/tx400323e. Epub 2014 Jan 10. Chem Res Toxicol. 2014. PMID: 24410586

4

Exploring the catalytic mechanism of dihydropteroate synthase: elucidating the differences between the substrate and inhibitor.

Chotpatiwetchkul W, Boonyarattanakalin K, Gleeson D, Gleeson MP. Chotpatiwetchkul W, et al. Among authors: gleeson mp, gleeson d. Org Biomol Chem. 2017 Jul 5;15(26):5593-5601. doi: 10.1039/c7ob01272a. Org Biomol Chem. 2017. PMID: 28639657

5

Theoretical Investigation of the Enantioselective [4 + 2] Cycloaddition Reaction of o-Hydroxystyrene and Azlactone.

Jensupakarn N, Gleeson MP, Gleeson D, Boonyarattanakalin K. Jensupakarn N, et al. Among authors: gleeson mp, gleeson d. J Org Chem. 2019 Apr 5;84(7):4025-4032. doi: 10.1021/acs.joc.9b00032. Epub 2019 Mar 20. J Org Chem. 2019. PMID: 30840460

6

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, gleeson d. 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

7

Preparation, biological evaluation and QSAR analysis of urea substituted 2,4-diamino-pyrimidine anti-malarials.

Toviwek B, Riley J, Mutter N, Anderson M, Webster L, Hallyburton I, Gleeson D, Read KD, Gleeson MP. Toviwek B, et al. Among authors: gleeson mp, gleeson d. RSC Med Chem. 2022 Oct 20;13(12):1587-1604. doi: 10.1039/d2md00218c. eCollection 2022 Dec 14. RSC Med Chem. 2022. PMID: 36561069 Free PMC article.

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 d. Chem Biol Drug Des. 2024 May;103(5):e14530. doi: 10.1111/cbdd.14530. Chem Biol Drug Des. 2024. PMID: 38725091

9

Theoretical Evaluation of the Reaction Mechanism of Serine Hydroxymethyltransferase.

Santatiwongchai J, Gleeson D, Gleeson MP. Santatiwongchai J, et al. Among authors: gleeson mp, gleeson d. J Phys Chem B. 2019 Jan 17;123(2):407-418. doi: 10.1021/acs.jpcb.8b10196. Epub 2019 Jan 3. J Phys Chem B. 2019. PMID: 30522268

10

Skeletal isomerization of butene in ferrierite: assessing the energetic and structural differences between carbenium and alkoxide based pathways.

Gleeson D. Gleeson D. J Phys Chem A. 2011 Dec 29;115(51):14629-36. doi: 10.1021/jp207683p. Epub 2011 Dec 2. J Phys Chem A. 2011. PMID: 22054170

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

330 results

Search Page