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Molecular docking and simulation studies of natural compounds of Vitex negundo L. against papain-like protease (PL ^pro ) of SARS CoV-2 (coronavirus) to conquer the pandemic situation in the world.

Autor: Mitra D; Department of Microbiology, Raiganj University, Uttar Dinajpur, West Bengal, India., Verma D; Department of Biotechnology, Graphic Era (Deemed to be University), Dehradun, Uttarakhand, India., Mahakur B; Department of Botany and Biotechnology, Ravenshaw University, Cuttack, Odisha, India., Kamboj A; Department of Biotechnology, Graphic Era (Deemed to be University), Dehradun, Uttarakhand, India., Srivastava R; Department of Applied Sciences, NGF College of Engineering and Technology, Palwal, Haryana, India., Gupta S; Department of Environmental Science, Graphic Era (Deemed to be University), Dehradun, Uttarakhand, India., Pandey A; School of Biotechnology, Gautam Buddha University, Greater Noida, Uttar Pradesh, India., Arora B; Proteininsights, Nangal Raya, New Delhi, India., Pant K; Department of Biotechnology, Graphic Era (Deemed to be University), Dehradun, Uttarakhand, India., Panneerselvam P; Microbiology, Crop Production Division, ICAR - National Rice Research Institute, Cuttack, Odisha, India., Ghosh A; Microbiology Division, Department of Botany, Gauhati University, Guwahati, Assam, India., Barik DP; Department of Botany and Biotechnology, Ravenshaw University, Cuttack, Odisha, India., Mohapatra PKD; Department of Microbiology, Raiganj University, Uttar Dinajpur, West Bengal, India.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2022 Aug; Vol. 40 (12), pp. 5665-5686. Date of Electronic Publication: 2021 Jan 18.