IN-SILICO EXPLORATION OF CHYAWANPRASH PHYTOCONSTITUENTS BINDING AFFINITY WITH KEY TARGETS OF HUMAN METAPNEUMOVIRUS

Background: Human Metapneumovirus (HMPV) remains a significant respiratory pathogen without specific antiviral therapy. Traditional Ayurvedic formulations like Dabur Chyawanprash, composed of numerous medicinal plants, may harbor bioactive compounds with antiviral potential. This study explores phytochemicals from Chyawanprash alongside FDA approved drugs; Ribavirin, Penicillin V and Ibuprofen for their suitability as antiHMPV agents using in-silico approaches. Materials and Methods: A total of 41 medicinal plants were screened, and their phytochemicals evaluated using SwissADME for pharmacokinetic profiling and ProTox-II for toxicity prediction. Compounds with favorable ADMET properties were docked against five essential HMPV targets: polymerase phosphoprotein complex (6U5O), prefusion closed trimer (8W3Q), M2-1 tetramer (4CSA), prefusion trimer (8VT3), and N-P complex (5FVD). Docking was performed using AutoDock Vina interphase of PyRx, and molecular interactions were analyzed via Discovery Studio. Results: Seven phytochemicals met ADMET and drug likeness criteria, with propanoic acid and 1-butanol demonstrating optimal GI absorption, BBB permeability, and non-toxic profiles. Among targets, Penicillin V and Ribavirin exhibited the strongest binding, particularly with the N-P complex (-7.7 and -7.2 kcal/mol). Isovaleric acid showed high affinity for the polymerase phosphoprotein and M2-1 tetramer, while butyric acid and isoamyl alcohol also demonstrated strong interactions with various viral proteins. Conclusion: This in-silico study highlights propanoic acid, isovaleric acid, and 1-butanol as promising antiHMPV candidates. The integration of ADMET filtering with molecular docking provides a rational strategy for lead identification from traditional formulations. These findings merit further in-vitro and in-vivo investigation to validate their therapeutic potential.