Theoretical Biological Activities and Docking studies of new amino-acids Derivatives of Oseltamivir for The Treatment of Coronavirus Disease 2019
Keywords:
COVID-19, Oseltamivir, Docking, 1-click Docking.Abstract
Antiviral medications may be the best choices for COVID-19 treatment until particular therapeutic treatments become available. Tamiflu (oseltamivir) is a neuraminidase inhibitor licensed for the management and defense against influenza types A and B. Oseltamivir-based medication combinations are currently being used to treat COVID-19 patients who also have the new coronavirus 1SARS-CoV-2.1Oseltamivir administration was related with a less time spent in the hospital, quicker recovery1 and discharge, and a decreased mortality rate. Docking is a modern computational method for identifying a hit molecule by assessing the binding ability of molecular medicines within the binding target pocket. In this work, we chose 21 ligand compounds that are antiviral medicines termed Oseltamivir derivatives. The Protein Data Bank is used to obtain the structure of the protein that has to be inhibited. Thus, the protease receptor (1a30 POL HV1H2) was discovered. Oseltamivir and its derivatives1 (Table 1) were discovered to have promise against Covid-191 through molecular docking investigations using 1-click Docking. The A21 compound has the most negative energy of any chemical. Compounds A20,A19,A17,A13,A10,A9,A6,A2 have lower negative energy values than oseltamivir.
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