Sreeram, S (2021) Targeting the ENV spike protein of HIV with naturally occurring compounds: an in‑silico study for drug designing. Advances in Traditional Medicine.

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Abstract

Human Immunodefciency Virus (HIV) infects human by destroying the immune system. The types of HIV strains HIV-1 andHIV-2, among HIV-1 being more prevalent and considered deadly. Eventually either of the strains leads to disease AcquiredImmunodefciency Syndrome (AIDS). Traditional medicinal plants have a pivotal role in the modern pharmacological processdue to their rich composition of secondary metabolites with signifcant biological activity. Computational tools are gaining momentum as they predict with higher accuracy, robust and provide insight in the interaction of small molecule with the disease target protein. This study was conducted for understanding the interaction mode of Phyto compounds with Env spikeproteins of HIV. The compounds are studied for ADME properties and molecular docking using Schrödinger software wasperformed. From the results, Ethyl gallate was observed with least docking score and higher binding afnity for HIV-ENV
protein (4CC8) and Cinnamyl acetate (cis/trans) with HIV-1-ENV protein (6ULC

Item Type: Article
Uncontrolled Keywords: ENV protein · Medicinal plants · Molecular docking · ADMET properties · In-silico drug design
Depositing User: Mr Team Mosys
Date Deposited: 22 Jun 2022 08:58
Last Modified: 22 Jun 2022 08:58
URI: http://ir.psgcas.ac.in/id/eprint/1247

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