Journal of Theoretical & Computational Science
Open Access
ISSN: 2376-130X
ISSN: 2376-130X
Department of Pharmaceutical Sciences, Guru Jambheshwar University of Science and Technology, Hisar, India
Research Article
Design, Synthesis and Biological Evaluation of Derivatives Bearing Indazole Scaffold
Author(s): Archana Kapoor* and Mithlesh Yadav
The indazole scaffold has gained prominence in medicinal chemistry due to its diverse biological activities and potential as a pharmaceutical agent. This study delves into the design, synthesis and comprehensive evaluation of indazole derivatives, aiming to develop effective anticancer, antioxidant and antimicrobial agents. A series of computational studies, including molecular docking and Quantitative Structure–Activity Relationship (QSAR) analysis, guided the design of potent Tyrosine Threonine Kinase (TTK) inhibitors. The 2D-QSAR model (r²=0.9512) and 3D-QSAR model (q²=0.9132) demonstrated robust predictive accuracy, highlighting key structural attributes influencing biological activity. Synthetic schemes yielded three distinct series of indazole derivatives, which were subjected to bioassays for their anticancer, antioxidant and antimicrobial properties.. View More»