In silico and in vitro inhibition of host-based viral entry targets and cytokine storm in COVID-19 by ginsenoside compound K

SARS-CoV-2 is a novel coronavirus that emerged as an epidemic, causing respiratory disease with multiple severe symptoms and deadly consequences. ACE-2 TMPRSS2 play crucial synergistic roles in the membrane fusion viral entry of (COVID-19). The spike (S) protein binds to receptor for entry, while proteolytically cleaves S into S1 S2 subunits, promoting fusion. Therefore, are potential drug targets treating COVID-19, their inhibition promising strategy treatment prevention. This study proposes ginsenoside compound K (G-CK), triterpenoid saponin abundant Panax Ginseng, dietary medicinal herb highly consumed Korea China, effectively to, inhibits expression. We initially conducted in-silico evaluation where G-CK showed high affinity binding sites two target proteins SARS-CoV-2. Additionally, we evaluated stability using molecular dynamics (MD) simulations 100 ns, followed by MM-PBSA calculations. MD free energy calculations revealed has stable favorable energies, leading strong targets. Furthermore, suppressed ACE2 mRNA expression A549, Caco-2, MCF7 cells at concentration 12.5 μg/mL LPS-induced RAW 264.7 6.5 μg/mL, without significant cytotoxicity. Notably, were significantly lower A549 following treatment. These findings suggest may evolve therapeutic against COVID-19.