Abstract

Coronavirus causes severe harm to the health of both humans as well as animals, creating a major global health problem affecting millions of populations. Considering the situational emergency of identifying novel targeted therapy, we have chosen the herbal compound Adhatoda Justicia/ vasica, which is a high potent olden vital compound having a key role in various respiratory conditions with multiple beneficial uses. Adhatoda is promoted and supported by the Ministry of AYUSH for symptomatic management of respiratory ailments in the case of COVID 19. In this study, we focused on the efficacy of Adathoda primary active alkaloid, vasicine against coronavirus infectious symptoms, evaluated by in silico screening studies on virus proteins ACE 2 Receptor, 3CL protease and Spike protein SARS HR1 motif using PyRx tool and AutoDoc 1.5.6. Based on PyRx results, Vasicine with ACE 2 Receptor showed a higher docking affinity score -7.1 K/cal respectively when compared to other virus proteins. AutoDoc 1.5.6 screening study report showed that vasicine promotes good inhibitory constant 486.54 mM on 3CL protease more than others. Results reveal that vasicine could be a potential target for the treatment of COVID 19. This study adds strong evidence to the claim by the advisory released by AYUSH. Based on the results with the available literature, Adhatoda could be a drug helpful in relieving symptoms in non-- COVID cases in those who were quarantined or in lockdown pace, thereby reducing pandemic panic in confirmed asymptomatic or mild cases. For usage in moderate to severe cases, this could be an add-on therapy with existing modern medical therapy.

Keywords: Coronavirus infections, Adhatoda vasica, vasicine, in silico, PyRx, autoDoc vina, virus proteins.

Graphical Abstract