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Excavating phytochemicals from plants possessing antiviral activities for identifying SARS-CoV hemagglutinin-esterase inhibitors by diligent computational workflow.
J Biomol Struct Dyn. 2023 Apr;41(6):2382-2397. doi: 10.1080/07391102.2022.2033642. Epub 2022 Jan 31.
J Biomol Struct Dyn. 2023.
PMID: 35098887
Pinpointing the potential hits for hindering interaction of SARS-CoV-2 S-protein with ACE2 from the pool of antiviral phytochemicals utilizing molecular docking and molecular dynamics (MD) simulations.
Patel CN, Goswami D, Jaiswal DG, Parmar RM, Solanki HA, Pandya HA.
Patel CN, et al. Among authors: jaiswal dg.
J Mol Graph Model. 2021 Jun;105:107874. doi: 10.1016/j.jmgm.2021.107874. Epub 2021 Feb 22.
J Mol Graph Model. 2021.
PMID: 33647752
Free PMC article.
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Identification of antiviral phytochemicals as a potential SARS-CoV-2 main protease (Mpro) inhibitor using docking and molecular dynamics simulations.
Patel CN, Jani SP, Jaiswal DG, Kumar SP, Mangukia N, Parmar RM, Rawal RM, Pandya HA.
Patel CN, et al. Among authors: jaiswal dg.
Sci Rep. 2021 Oct 13;11(1):20295. doi: 10.1038/s41598-021-99165-4.
Sci Rep. 2021.
PMID: 34645849
Free PMC article.
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Diagnostic utility of triple antibody (AMACR, HMWCK and P63) stain in prostate neoplasm.
Rathod SG, Jaiswal DG, Bindu RS.
Rathod SG, et al. Among authors: jaiswal dg.
J Family Med Prim Care. 2019 Aug 28;8(8):2651-2655. doi: 10.4103/jfmpc.jfmpc_432_19. eCollection 2019 Aug.
J Family Med Prim Care. 2019.
PMID: 31548949
Free PMC article.
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