Evaluation of Flavonoids as 2019-nCoV Cell Entry Inhibitor Through Molecular Docking and Pharmacological Analysis

06 April 2020, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

In this study we aimed at the receipt binding domain of S protein and ACE-2 receptor as a promising drug targets against SARS-CoV-2. Flavonoids with anti-viral properties were taken as ligand for molecular docking. Selected flavonoids showed extremely good pharmacokinetics properties with good absorption, solubility, metabolism, excretion,distribution, bioavailability and minimal toxicity. These identified lead flavonoids may act as potential compound for the development of effective drugs and may help in controlling the rapid spread of SARS-CoV-2 by potentially inhibiting the virus entry into the host cell.

Keywords

SARS-CoV-2
S glycoprotein RBD
angiotensin converting enzyme 2
Flavonoids
ADMET

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