Research

Chemical Sciences

Title :

Discovery of newer 1, 2, 3-triazole molecular hybrids with potential anti-tubercular activity via synthesis, in vitro screening, 3D-QSAR based pharmacophore modelling, molecular docking and molecular dynamics simulation studies

Area of research :

Chemical Sciences

Focus area :

Pharmaceutical Sciences, Drug Discovery

Principal Investigator :

Dr. Kishan Prabhu Haval, Dr. Babasaheb Ambedkar Marathwada University, Maharashtra

Timeline Start Year :

2023

Timeline End Year :

2026

Contact info :

Details

Executive Summary :

Tuberculosis treatments currently used in clinical practice involve months of multidrug therapy, which enforces a major challenge of patient compliance and drug resistance development. Moreover, due to the increasing emergence of hard-to-treat tuberculosis, this deadly disease continues to be a major threat to the human population. 1, 2, 3-triazole as a privileged structure has been extensively utilized as an effective skeleton for drug discovery, and 1, 2, 3-triazole-containing molecular hybrids that can simultaneously act on dual or multiple targets in Mycobacterium tuberculosis have the potential to avoid drug resistance, improve efficacy, decrease side effects and increase pharmacokinetic as well as pharmacodynamic profiles. Thus, 1, 2, 3-triazole-containing molecular hybrids are useful skeletons for the development of potential antitubercular agents. This research project aims to synthesize new 1, 2, 3-triazole-containing molecular hybrids with potential activity against various forms of M. tuberculosis. The structure-activity relationship and the mechanism of action by molecular docking will be studied to facilitate further rational design of more effective drug candidates.

Co-PI:

Dr. Prashant Purushottam Dixit, Dr. Babasaheb Ambedkar Marathwada University, Maharashtra-431004

Total Budget (INR):

24,99,070

Organizations involved