Histone Deacetylase Inhibitors as Potential COVID-19 Virus RNA-Dependent RNA Polymerase Inhibitors: A Molecular Docking and Dynamics Study

The novel coronavirus disease that initially appeared in 2019, commonly identified as COVID-19 is an acute infectious precipitated by the SARSCoV- 2 and has become a severe pandemic health crisis. People stricken with case of are subject to relatively higher mortality rate, which brought about predominantly difficulty having potent specific antiviral drugs for its treatment. In this context, viral RNA-dependent RNA polymerase (RdRp) attractive target inhibitors, mainly because essential role processing polyproteins translated from RNA. Moreover, histone deacetylases inhibitors represent one most promising agents. Therefore, contribution, silico structure-based drug design approach was employed identify structural characteristics potential repurposed activity HDACIs antivirals against COVID-19. Herein, 12 HDAC were screened explore their anti-viral (6NUR). Results revealed large number strongly bound into active binding site crystallographic structure (6NUR) lowest CDOCKER energy interaction very close those control remdesivir. Importantly, virtually particularly, Givinostat, Pracinostat, Panobinostat, Romidepsin (FK228) metabolite (RedF) could be candidates inhibitors. Significantly, these should evaluated on effectivity when treating COVID-19, specifically using have been approved clinical trials limited toxicity.