Relaxed complex scheme and molecular dynamics simulation suggests small molecule inhibitor of human TMPRSS2 for combating COVID-19.

Autor: Vuai SAH; Department of Chemistry, College of Natural and Mathematical Sciences, University of Dodoma, Dodoma, Tanzania., Ogedjo MM; Department of Chemistry, College of Natural and Mathematical Sciences, University of Dodoma, Dodoma, Tanzania., Isaac O; Department of Chemistry, College of Natural and Mathematical Sciences, University of Dodoma, Dodoma, Tanzania., Sahini MG; Department of Chemistry, College of Natural and Mathematical Sciences, University of Dodoma, Dodoma, Tanzania., Swai HS; School of Life Sciences and Bioengineering, The Nelson Mandela African Institution of Science and Technology, Arusha, Tanzania., Shadrack DM; Department of Chemistry, Faculty of Natural and Applied Sciences, St. John's University of Tanzania, Dodoma, Tanzania.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2022; Vol. 40 (24), pp. 13925-13935. Date of Electronic Publication: 2021 Nov 09.