Wang H - Search Results

1

Corrigendum to "Design, synthesis and biological evaluation of carbamate derivatives incorporating multifunctional carrier scaffolds as pseudo-irreversible cholinesterase inhibitors for the treatment of Alzheimer's disease" [Eur. J. Med. Chem. 265 (2024) 116071].

Liu Y, Ma C, Li Y, Li M, Cui T, Zhao X, Li Z, Jia H, Wang H, Xiu X, Hu D, Zhang R, Wang N, Liu P, Yang H, Cheng M. Liu Y, et al. Among authors: wang h, wang n. Eur J Med Chem. 2024 Mar 5;267:116169. doi: 10.1016/j.ejmech.2024.116169. Epub 2024 Jan 30. Eur J Med Chem. 2024. PMID: 38290915 No abstract available.

2

Strategy and validation of a structure-based method for the discovery of selective inhibitors of PAK isoforms and the evaluation of their anti-cancer activity.

Song PL, Wang G, Su Y, Wang HX, Wang J, Li F, Cheng MS. Song PL, et al. Bioorg Chem. 2019 Oct;91:103168. doi: 10.1016/j.bioorg.2019.103168. Epub 2019 Jul 30. Bioorg Chem. 2019. PMID: 31400553

3

Precise design of highly isoform-selective p21-activated kinase 4 inhibitors: computational insights into the selectivity mechanism through molecular dynamics simulation and binding free energy calculation.

Su Y, Song P, Wang H, Hu B, Wang J, Cheng MS. Su Y, et al. Among authors: wang h, wang j. J Biomol Struct Dyn. 2020 Aug;38(13):3825-3837. doi: 10.1080/07391102.2019.1664330. Epub 2019 Sep 15. J Biomol Struct Dyn. 2020. PMID: 31490101

4

In silico studies on p21-activated kinase 4 inhibitors: comprehensive application of 3D-QSAR analysis, molecular docking, molecular dynamics simulations, and MM-GBSA calculation.

Gao Y, Wang H, Wang J, Cheng M. Gao Y, et al. Among authors: wang h, wang j. J Biomol Struct Dyn. 2020 Sep;38(14):4119-4133. doi: 10.1080/07391102.2019.1673823. Epub 2019 Oct 11. J Biomol Struct Dyn. 2020. PMID: 31556340

5

Computational Strategy Revealing the Structural Determinant of Ligand Selectivity towards Highly Similar Protein Targets.

Wang H, Gao Y, Wang J, Cheng M. Wang H, et al. Among authors: wang j. Curr Drug Targets. 2020;21(1):76-88. doi: 10.2174/1389450120666190926113524. Curr Drug Targets. 2020. PMID: 31556854 Review.

6

Molecular determinants for ligand binding at Nav1.4 and Nav1.7 channels: Experimental affinity results analyzed by molecular modeling.

Kong DJ, Wang Y, Wang HX, Wang MX, Wang J, Cheng MS. Kong DJ, et al. Comput Biol Chem. 2019 Dec;83:107132. doi: 10.1016/j.compbiolchem.2019.107132. Epub 2019 Sep 23. Comput Biol Chem. 2019. PMID: 31563636

7

Molecular dynamics simulation and QM/MM calculation reveal the selectivity mechanism of type I 1/2 kinase inhibitors: the effect of intramolecular H-bonds and conformational restriction for improved selectivity.

Wang H , Gao Z , Song P , Hu B , Wang J , Cheng M . Wang H , et al. Among authors: wang j. Phys Chem Chem Phys. 2019 Nov 7;21(43):24147-24164. doi: 10.1039/c9cp04353e. Phys Chem Chem Phys. 2019. PMID: 31657381

8

PB-10, a thiazolo[4,5-d] pyrimidine derivative, targets p21-activated kinase 4 in human colorectal cancer cells.

Li R, Wang H, Wang J, Cheng M. Li R, et al. Among authors: wang h, wang j. Bioorg Med Chem Lett. 2020 Jan 15;30(2):126807. doi: 10.1016/j.bmcl.2019.126807. Epub 2019 Nov 9. Bioorg Med Chem Lett. 2020. PMID: 31740249

9

Computational investigation reveals Picrasidine C as selective PPARα lead: binding pattern, selectivity mechanism and ADME/tox profile.

Li F, Wang H, Wang Y, Feng S, Hu B, Zhang X, Wang J, Li W, Cheng M. Li F, et al. Among authors: wang h, wang j, wang y. J Biomol Struct Dyn. 2020 Nov;38(18):5401-5418. doi: 10.1080/07391102.2019.1699861. Epub 2019 Dec 12. J Biomol Struct Dyn. 2020. PMID: 31787028

10

Discovery of small molecule inhibitors through pharmacophore modeling, molecular docking, molecular dynamics simulation and experimental validation against myeloid cell leukemia-1 (Mcl-1).

Suleiman MR, Wang H, Huang D, Wang H, Joseph J, Huang T, Zhang F, Wang J, Cheng M. Suleiman MR, et al. Among authors: wang h, wang j. J Biomol Struct Dyn. 2021 Apr;39(7):2512-2525. doi: 10.1080/07391102.2020.1749132. Epub 2020 Apr 20. J Biomol Struct Dyn. 2021. PMID: 32228162

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