Kumar S - Search Results

1

Structure-Based QSAR Modeling of RET Kinase Inhibitors from 49 Different 5,6-Fused Bicyclic Heteroaromatic Cores to Patent-Driven Validation.

Jin S, Kumar S, Kim MH. Jin S, et al. Among authors: kumar s. ACS Omega. 2024 Dec 6;9(50):49662-49673. doi: 10.1021/acsomega.4c07843. eCollection 2024 Dec 17. ACS Omega. 2024. PMID: 39713648 Free PMC article.

2

Studies of the benzopyran class of selective COX-2 inhibitors using 3D-QSAR and molecular docking.

Yadav DK, Saloni, Sharma P, Misra S, Singh H, Mancera RL, Kim K, Jang C, Kim MH, Pérez-Sánchez H, Choi EH, Kumar S. Yadav DK, et al. Among authors: kumar s. Arch Pharm Res. 2018 Dec;41(12):1178-1189. doi: 10.1007/s12272-017-0945-7. Epub 2017 Aug 18. Arch Pharm Res. 2018. PMID: 28822076

3

Development of Predictive Models for Identifying Potential S100A9 Inhibitors Based on Machine Learning Methods.

Lee J, Kumar S, Lee SY, Park SJ, Kim MH. Lee J, et al. Among authors: kumar s. Front Chem. 2019 Nov 25;7:779. doi: 10.3389/fchem.2019.00779. eCollection 2019. Front Chem. 2019. PMID: 31824919 Free PMC article.

4

Ligand-based pharmacophore modeling and docking studies on vitamin D receptor inhibitors.

Yadav DK, Kumar S, Teli MK, Kim MH. Yadav DK, et al. Among authors: kumar s. J Cell Biochem. 2020 Jul;121(7):3570-3583. doi: 10.1002/jcb.29640. Epub 2020 Jan 6. J Cell Biochem. 2020. PMID: 31904142

5

In silico identification of hydantoin derivatives: a novel natural prolyl hydroxylase inhibitor.

Teli MK, Kumar S, Yadav DK, Kim MH. Teli MK, et al. Among authors: kumar s. J Biomol Struct Dyn. 2021 Feb;39(2):703-717. doi: 10.1080/07391102.2020.1714480. Epub 2020 Jan 25. J Biomol Struct Dyn. 2021. PMID: 31914862

6

Computational Modeling on Aquaporin-3 as Skin Cancer Target: A Virtual Screening Study.

Yadav DK, Kumar S, Choi EH, Chaudhary S, Kim MH. Yadav DK, et al. Among authors: kumar s. Front Chem. 2020 Apr 15;8:250. doi: 10.3389/fchem.2020.00250. eCollection 2020. Front Chem. 2020. PMID: 32351935 Free PMC article.

7

SMPLIP-Score: predicting ligand binding affinity from simple and interpretable on-the-fly interaction fingerprint pattern descriptors.

Kumar S, Kim MH. Kumar S, et al. J Cheminform. 2021 Mar 25;13(1):28. doi: 10.1186/s13321-021-00507-1. J Cheminform. 2021. PMID: 33766140 Free PMC article.

8

In silico identification of prolyl hydroxylase inhibitor by per-residue energy decomposition-based pharmacophore approach.

Teli MK, Kumar S, Yadav DK, Kim MH. Teli MK, et al. Among authors: kumar s. J Cell Biochem. 2021 Apr 19. doi: 10.1002/jcb.29933. Online ahead of print. J Cell Biochem. 2021. PMID: 33871074

9

Prediction of chemical warfare agents based on cholinergic array type meta-predictors.

Kumar S, Kumari C, Ahn S, Kim H, Kim MH. Kumar S, et al. Sci Rep. 2022 Oct 6;12(1):16709. doi: 10.1038/s41598-022-21150-2. Sci Rep. 2022. PMID: 36203081 Free PMC article.

10

GPCR-IPL score: multilevel featurization of GPCR-ligand interaction patterns and prediction of ligand functions from selectivity to biased activation.

Kumar S, Teli MK, Kim MH. Kumar S, et al. Brief Bioinform. 2024 Jan 22;25(2):bbae105. doi: 10.1093/bib/bbae105. Brief Bioinform. 2024. PMID: 38517694 Free PMC article.

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