Computational Search for Potential COVID-19 Drugs from Ayurvedic Medicinal Plants to Identify Potential Inhibitors against SARS-CoV-2 Targets.

V Alagarsamy,V Raja Solomon,P Shyam Sundar,Vishaka S Kulkarni,M T Sulthana,A Dharshini Aishwarya,B Narendhar,S Murugesan

Current computer-aided drug design（2023）

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摘要

Molecular ADMET profile estimation showed that the docked phytochemicals were safe. The present study suggested that active phytochemicals from medicinal plants could inhibit RdRp and spike protein of SARS-CoV-2.

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关键词

ADMET,COVID-19,MD simulation,SARS-CoV-2,medicinal plants,molecular docking,toxicity profile

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