Highlights • Indigenous Siddha formulation ( Kabasura Kudineer ) tested for anti – COVID-19 activity. • Phytochemicals (n = 32) were docked to post-fusion Spike protein and Mpro of SARS-COV-2. • Quercetin (Mpro) and Gallic acid (Spike) showed the highest binding affinity and stability. • ML/ in silico-based pharmacokinetic profiling was done to assess drug likeness. • Mechanistic insights are provided for the anti-viral efficacy of polyherbal formulation.
All Keywords
【저자키워드】 COVID-19, SARS-CoV-2, Dynamics, molecular docking, MPro, Kabasura kudineer, iddha medicine, Post fusion spike protein,
【저자키워드】 COVID-19, SARS-CoV-2, Dynamics, molecular docking, MPro, Kabasura kudineer, iddha medicine, Post fusion spike protein,