Potential herbs as therapeutic agents for COVID-19: In silico studies

ABSTRACT

Across 218 countries, since March 2020, severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) infection has been a reason for concern. Doctors as well as researchers. stand together to find a treatment for this pandemic. The virus attaches to the host cells via transmembrane spike glycoprotein. The glycoprotein has affinity for human angiotensin-converting enzyme 2 and is dimeric. Thus, the virus attaches to the ACE receptors through the receptor-binding domain (SARS-CoV-2 RBD Spro). Further, the main protease (Mpro), a chymotrypsin-like protease (3CLpro), plays a critical role in post-translational modifications, thereby affecting viral survival. Thus, targeting these viral markers can not only block the fusion with host cells, but also affect replication of the virus. Ancient civilizations have been using plants, herbs as well as spices for their medicinal values as antiviral, antiinflammatory, antipyretic, antimicrobial and many more. The rich array of phytochemicals in these spices endows them with these beneficial properties, and hence they are largely being looked as agents for therapeutic use. However, the journey from laboratory for drug development is a time-consuming process as it starts from trying to identify the major therapeutic component to its pre-clinical studies, clinical and then its marketing as a drug. In the current pandemic where loss of human life has been in millions, a faster and more efficient modality like in silico studies can help escalate this search for a therapy thereby saving mankind. This study is a comprehensive review on results of in silico approaches conducted in near future in an attempt to evolve an ideal therapeutic candidate for ending the pandemic. Results of research conducted on phytochemicals from medicinal and aromatic plants as potential therapeutic candidates using tools of bioinformatics and computational modelling are hereby discussed.