Molecular Docking and Anti-tubercular potential of bioactive compounds from Houttuynia Cordata

Abstract

- Tuberculosis (TB), caused by Mycobacterium tuberculosis , remains a major global health challenge due to increasing drug resistance and limitations of existing therapies. The present study investigated the anti-tubercular potential of bioactive constituents of Houttuynia cordata . The methanolic extract of H. cordata (FMEM) was subjected to preliminary phytochemical and spectroscopic/chromatographic characterization. Selected phytoconstituents were further evaluated by molecular docking against potential M. tuberculosis protein targets to assess their binding affinity and interaction profiles. The selected compounds exhibited favorable interactions with the investigated targets, indicating their potential for anti-tubercular drug discovery. The in vitro anti-tubercular activity of FMEM was evaluated against M. tuberculosis H37Rv using the Microplate Alamar Blue Assay (MABA) at concentrations ranging from 100 to 0.2 µg/mL. The extract showed susceptibility at 100 µg/mL, while no detectable inhibition was observed at lower tested concentrations. Accordingly, the minimum inhibitory concentration (MIC) of FMEM was reported as 100 µg/mL. Rifampicin, isoniazid, and pyrazinamide were used as reference drugs. Overall, the findings provide preliminary evidence for the anti-tubercular potential of H. cordata and its bioactive constituents, warranting further experimental validation