Silibin as Potent Inhibitor of COVID -19 Main Protease: In-Silico Docking Approach

Abstract

Coronavirus (COVID19) is an enveloped RNA virus that infects humans and wildlife in a variety of ways. A total of six species that cause disease in humans have been identified. Viral infections play an important role in human illness, with recent outbreaks being a global influx in the form of new coronaviruses. The ssRNA virus, a member of the enveloped coronavirus family, causes SARS, a life threatening viral infection. The spread of infection is occurring rapidly in many countries around the world. The World Health Organization (WHO) has designated COVID 19 as a pandemic on March 11, 2020. There are many drug studies with some positive results. However, if the vaccine is not available, the best way to combat the virus is to take precautions. In this study, a molecular docking approach was attempted to discover a novel COVID19 major protease inhibitor. Silybum marianum well known as Milk thistle is an herbal nutraceutical used to treat liver and biliary disorders. The active ingredient is silymarin, which is a flavonoid complex containing approximately 65-80% silibinin (silybin), flavonolignans (silybin A and silybin B, isosilybin A, isosilybin B, silychristin and silydianin. Current research shows that silibin e has good binding affinity to COVID19 protease, so it can be used for prophylaxis and therapeutic treatment of corona patients.