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Molecular docking and simulation studies of natural compounds of Vitex negundo L. against papain-like protease (PLpro) of SARS CoV-2 (coronavirus) to conquer the pandemic situation in the world.
Mitra D, Verma D, Mahakur B, Kamboj A, Srivastava R, Gupta S, Pandey A, Arora B, Pant K, Panneerselvam P, Ghosh A, Barik DP, Mohapatra PKD. Mitra D, et al. Among authors: ghosh a. J Biomol Struct Dyn. 2022 Aug;40(12):5665-5686. doi: 10.1080/07391102.2021.1873185. Epub 2021 Jan 18. J Biomol Struct Dyn. 2022. PMID: 33459176
Leishmanicidal and cytotoxic activity of essential oil from the fruit peel of Myrciaria floribunda (H. West ex Willd.) O. Berg: Molecular docking and molecular dynamics simulations of its major constituent onto Leishmania enzyme targets.
Barbosa DCDS, Holanda VN, Ghosh A, Maia RT, da Silva WV, Lima VLM, da Silva MV, Dos Santos Correia MT, de Figueiredo RCBQ. Barbosa DCDS, et al. Among authors: ghosh a. J Biomol Struct Dyn. 2022;40(23):13001-13016. doi: 10.1080/07391102.2021.1978320. Epub 2021 Oct 11. J Biomol Struct Dyn. 2022. PMID: 34632943
In-silico molecular docking and molecular dynamic simulation of γ-elemene and caryophyllene identified from the essential oil of Kaempferia galanga L. against biofilm forming proteins, CrtM and SarA of Staphylococcus aureus.
Sharma V, Gogoi B, Borah SN, Ghosh A, Mazumdar A, Kalita RD. Sharma V, et al. Among authors: ghosh a. J Biomol Struct Dyn. 2024 Feb 7:1-13. doi: 10.1080/07391102.2024.2310773. Online ahead of print. J Biomol Struct Dyn. 2024. PMID: 38321959
Macrolactin A as a Novel Inhibitory Agent for SARS-CoV-2 Mpro: Bioinformatics Approach.
Bharadwaj KK, Sarkar T, Ghosh A, Baishya D, Rabha B, Panda MK, Nelson BR, John AB, Sheikh HI, Dash BP, Edinur HA, Pati S. Bharadwaj KK, et al. Among authors: ghosh a. Appl Biochem Biotechnol. 2021 Oct;193(10):3371-3394. doi: 10.1007/s12010-021-03608-7. Epub 2021 Jul 1. Appl Biochem Biotechnol. 2021. PMID: 34212286 Free PMC article.
7,507 results