A Computational Approach for Molecular Characterization of Covaxin (BBV152) and Its Ingredients for Assessing Its Efficacy against COVID-19

SARS-CoV-2 vaccination is a life-saving strategy for the entire population living in this pandemic. Several vaccines were developed using different platforms such as nucleic acids, viral vectors recombinant proteins, live attenuated, and inactivated virus modalities, etc. Although immunogenicity efficacy of these COVID investigated, Covaxin (a vaccine code-named BBV152), an COVID-19 vaccine, has not been well studied yet. This study aimed to explore interactions between biomolecules with adjuvants by analyzing molecular protein–protein S protein, angiotensin-converting enzyme 2 (ACE2), human serum albumin (HSA) ingredients (2-phenoxyethanol imidazoquinolinone) computational methods Autodock Vina, Cluspro, Swiss ADME. In addition, its drug-likeness property was investigated. The binding energies Vina showed stronger 2-phenoxyethanol imidazoquinolinone surface cell membrane receptor ACE2, drug carrier plasma HSA (−5.2, −5.3 kcal/mol; −8.5, −8.5 −9.1 kcal/mol, respectively). interaction protein ACE2 presence hindered function reducing energy proteins. may have based on pharmacokinetic physicochemical parameters. These results suggest that owing ingredients, impart greater averting thus it be more effective producing herd immunity. conclusion, first time, predicts possible useful effects two therapeutic strategies against SARS-CoV-2.