21.Issue 08 august 24 - INDO AMERICAN JOURNAL OF PHARMACEUTICAL SCIENCES

Volume : 11, Issue : 08, August – 2024

Title:

NOVEL BENZOPYRAN DERIVATIVES: DOCKING ANALYSIS AND SYNTHETIC APPROACH

Authors :

Mr. Amit Anandrao Mandave*, Dr. Somashekhar Metri

Abstract :

This study focuses on the design and synthesis of a series of 50 novel derivatives of N-(8-hydrazinyl-3,4-dihydro-2H-1-benzopyran-6-yl)-N’-phenylurea (AMS-II). The primary objective was to identify compounds with potential activity against key enzymes involved in tuberculosis. Molecular docking studies were conducted to evaluate the binding affinity of these derivatives with DNA Gyrase (PDB ID: 4URO) and PKS13 (PDB ID: 5v3y) proteins. Notably, the derivatives AMS-II-3, AMS-II-13, AMS-II-27, AMS-II-33, AMS-II-42, and AMS-II-49 showed exceptional docking scores, indicating strong interactions with these critical bacterial targets. The synthetic process began with the reaction of 8-bromo-3,4-dihydro-2H-1-benzopyran-6-amine with phenylcarbamic acid to yield N-(8-bromo-3,4-dihydro-2H-1-benzopyran-6-yl)-N’-phenylurea. This intermediate was then treated with hydrazine hydrate to form N-(8-hydrazinyl-3,4-dihydro-2H-1-benzopyran-6-yl)-N’-phenylurea, which was subsequently reacted with various aromatic halides to produce the AMS-II derivatives. These synthesized compounds were subjected to structural analysis to confirm their identity and purity. The results suggest that several AMS-II derivatives exhibit promising interactions with key tuberculosis-related enzymes, making them potential candidates for further investigation and development as therapeutic agents. Further research, including in vivo studies and structure-activity relationship (SAR) analysis, is recommended to assess their efficacy and safety in more detail.
Keywords: Benzopyran, Docking study, Alamar blue susceptibility test(MABA), Anti-tubercular Activity.

Cite This Article:

Please cite this article in press Amit Anandrao Mandave et al., Novel Benzopyran Derivatives: Docking Analysis And Synthetic Approach.,Indo Am. J. P. Sci, 2024; 11 (8).

Number of Downloads : 10

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