ABSTRACT:
Considerable attention has been given to searching for novel anticancer drugs concerning the disease sequelae on human health and well-being. The objective of the present study was to carry out the QSAR evaluation on the substituted 1, 2, and 4-triazole derivatives for anticancer potential using the k-Nearest Neighbor Molecular Field Analysis (kNN-MFA) method. Using a molecular suite, a quantitative structure-activity relationships (QSAR) analysis was undertaken on a series of -3-phenyl[1,2,4]triazolo[3,4-b][1,3,4] thiadiazole. This study used a genetic algorithm and a manual selection approach on 20 substituted 1, 2, and 4-triazole derivatives1, 2. The study suggested crucial moieties and certain properties essential for potent anticancer activity and highlighted a series of promising compounds 7, 8, and 10 for further development as novel Triazole-based anticancer agents.
Cite this article:
Yogita A. Ladgaonkar, Pooja Waskar. QSAR Study of 1, 2, 4-Triazole for their Anticancer Activity. Asian Journal of Research in Chemistry.2025; 18(3):117-2. doi: 10.52711/0974-4150.2025.00019
Cite(Electronic):
Yogita A. Ladgaonkar, Pooja Waskar. QSAR Study of 1, 2, 4-Triazole for their Anticancer Activity. Asian Journal of Research in Chemistry.2025; 18(3):117-2. doi: 10.52711/0974-4150.2025.00019 Available on: https://www.ajrconline.org/AbstractView.aspx?PID=2025-18-3-1
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