Kumar SP - Search Results

1

Theaflavin-3-gallate, a natural antagonist for Hsp90: In-silico and in-vitro approach.

Bhadresha K, Kumar SP, Brahmbhatt J, Patel C, Pandya P, Jain N, Rawal R. Bhadresha K, et al. Among authors: kumar sp. Chem Biol Interact. 2022 Feb 1;353:109774. doi: 10.1016/j.cbi.2021.109774. Epub 2021 Dec 25. Chem Biol Interact. 2022. PMID: 34958756

2

Epitope-based immunoinformatics and molecular docking studies of nucleocapsid protein and ovarian tumor domain of crimean-congo hemorrhagic Fever virus.

Srinivasan P, Kumar SP, Karthikeyan M, Jeyakanthan J, Jasrai YT, Pandya HA, Rawal RM, Patel SK. Srinivasan P, et al. Among authors: kumar sp. Front Genet. 2011 Nov 2;2:72. doi: 10.3389/fgene.2011.00072. eCollection 2011. Front Genet. 2011. PMID: 22303367 Free PMC article.

3

Qualitative and quantitative pharmacophore-similarity assessment of anthranilamide-based factor Xa inhibitors: applications on similar molecules with identical biological endpoints.

Kumar SP, Rawal RM, Pandya HA, Jasrai YT. Kumar SP, et al. J Recept Signal Transduct Res. 2016;36(2):189-206. doi: 10.3109/10799893.2015.1075040. Epub 2015 Sep 29. J Recept Signal Transduct Res. 2016. PMID: 26416308

4

Multi-level structure-based pharmacophore modelling of caspase-3-non-peptide complexes: Extracting essential pharmacophore features and its application to virtual screening.

Kumar SP, Jha PC. Kumar SP, et al. Chem Biol Interact. 2016 Jul 25;254:207-20. doi: 10.1016/j.cbi.2016.06.011. Epub 2016 Jun 9. Chem Biol Interact. 2016. PMID: 27291469

5

Molecular dynamics-assisted pharmacophore modeling of caspase-3-isatin sulfonamide complex: Recognizing essential intermolecular contacts and features of sulfonamide inhibitor class for caspase-3 binding.

Kumar SP, Patel CN, Jha PC, Pandya HA. Kumar SP, et al. Comput Biol Chem. 2017 Dec;71:117-128. doi: 10.1016/j.compbiolchem.2017.08.006. Epub 2017 Aug 9. Comput Biol Chem. 2017. PMID: 29153890

6

An integrated computational approach to identify GC minor groove binders using various molecular docking scoring functions, dynamics simulations and binding free energy calculations.

Soni MN, Kumar SP, S R KJ, Rawal RM, Pandya HA. Soni MN, et al. Among authors: kumar sp. J Biomol Struct Dyn. 2020 Aug;38(13):3838-3855. doi: 10.1080/07391102.2019.1664331. Epub 2019 Oct 8. J Biomol Struct Dyn. 2020. PMID: 31502527

7

Cardiotonic steroids as potential Na⁺/K⁺-ATPase inhibitors - a computational study.

Patel CN, Kumar SP, Modi KM, Soni MN, Modi NR, Pandya HA. Patel CN, et al. Among authors: kumar sp. J Recept Signal Transduct Res. 2019 Jun;39(3):226-234. doi: 10.1080/10799893.2019.1660893. Epub 2019 Sep 11. J Recept Signal Transduct Res. 2019. PMID: 31509043

8

A multiparametric organ toxicity predictor for drug discovery.

Patel CN, Kumar SP, Rawal RM, Patel DP, Gonzalez FJ, Pandya HA. Patel CN, et al. Among authors: kumar sp. Toxicol Mech Methods. 2020 Mar;30(3):159-166. doi: 10.1080/15376516.2019.1681044. Epub 2019 Oct 29. Toxicol Mech Methods. 2020. PMID: 31618094 Free PMC article.

9

Energetic contributions of amino acid residues and its cross-talk to delineate ligand-binding mechanism.

Kumar SP, Patel CN, Rawal RM, Pandya HA. Kumar SP, et al. Proteins. 2020 Sep;88(9):1207-1225. doi: 10.1002/prot.25894. Epub 2020 May 1. Proteins. 2020. PMID: 32323374

10

Identification of potential inhibitors of coronavirus hemagglutinin-esterase using molecular docking, molecular dynamics simulation and binding free energy calculation.

Patel CN, Kumar SP, Pandya HA, Rawal RM. Patel CN, et al. Among authors: kumar sp. Mol Divers. 2021 Feb;25(1):421-433. doi: 10.1007/s11030-020-10135-w. Epub 2020 Sep 29. Mol Divers. 2021. PMID: 32996011 Free PMC article.

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