Evaluating the Antitubercular Potential of Tinospora Crispa (Makabuhay): In Silico Approaches to Identify Bioactive Compounds Against Mycobacterium Tuberculosis

Mycobacterium tuberculosis (Mtb) remains a significant global health challenge, necessitating the discovery of novel therapeutic agents to combat its rising resistance to conventional antibiotics.This study investigates the molecular docking analysis of phytochemicals derived from Tinospora crispa (Makabuhay)against key proteins associated with Mtb, employing AutoDock Vina for in silico evaluation.A comprehensive library of 40 phytochemical compounds from Tinospora crispa was screened, revealing several promising candidates.The analysis identifies the top-ranking compound, which displayed a binding affinity of -8.7 kcal/mol, indicating strong potential for interaction with the Mtb proteins.In particular, specific phytochemicals demonstrated significant binding to crucial active sites involved in Mtb pathogenesis, thereby suggesting their potential as inhibitors of bacterial entry and survival.The interactions of these phytochemicals with critical residues were elucidated, highlighting the role of hydrogen bonds and hydrophobic interactions in enhancing binding stability.These findings emphasize the therapeutic promise of Tinospora crispa-derived phytochemicals in targeting Mtb and pave the way for future experimental validation.Furthermore, the study underscores the importance of exploring natural compounds for innovative drug development strategies against tuberculosis, particularly in an era of increasing antimicrobial resistance.Molecular docking serves as a vital tool in the early stages of drug discovery, providing insights into proteinligand interactions that can guide the development of effective antitubercular agents.