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ISSN 2063-5346
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Novel Benzopyrole Derivatives: Design, Synthesis, and Molecular Docking Study as Potent Anti-Inflammatory Agents

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Dr. Somashekar M Metri*1, Maharani Bhandarakavathe1, Shivanand Kolageri1, Dr. Vishal Babar2, Dr. Pratik P Maske3, Prof. Prashant PChavan4, Agasa Ramu Mahesh5
» doi: 10.48047/ecb/2023.12.10.080

Abstract

Background: Indole may be chemically altered to provide a strong medicinal drug. In this work, the antibacterial and anti-inflammatory actions of indole derivatives were investigated in order to characterise their biological features. Methods:In my research, new Indole derivatives were created by converting 3-hydrazinyl benzoic acid into 1-(2-hydrazinyl-2-oxoethyl)-1H-indole-4-carboxylic acid(IIIA), which was then treated with chloroacetyl chloride. Thioglycolic acids are used to treat 1H-indole-4-carboxylic acid to produce 4-amino-5-(1H-indole-4-yl)-4H-1,2,4-triazole-3-thiol (IIIB) All of the new indole derivatives and intermediates identified had high yields. For the investigation, only one protein target4COXwas chosen, and its structuresin PDB formatwere saved from the RCSB Protein Data Bank. Proteins were produced using the Discovery Studio 2021 Client. ChemDraw 20.0 was used to create and save the bemnzopyrole structure in mol format. Molecular docking was carried out via PyRx. Discovery Studio 2021 Client was used to visualize 3D and 2D docking interactions.

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