Protein Structure and Function Prediction of SARS-CoV 2: Prospective Antivirus Active Drug Binding Sites

Abstract

Today a newly emerged corona-virus known as SARS-CoV 2 has become a cause of global health concern and took away the lives of large number of people throughout the world. Corona-viruses are the enveloped virus with positive single stranded genome of 26.4 to 31.7 kb. Envelop of the corona-virus is made up of four structural proteins namely envelop protein (E), membrane protein (M), spike protein (S) and nucleocapsid protein (N). These four proteins are responsible for the overall shape and size of the virus (structure of virus). Envelop protein forms ion channels, membrane protein is responsible for the shape of the virus, spike protein is responsible for the entering inside the target host cell by binding to host receptor and nucleocapsid protein binds to the single stranded RNA genome of the virus forming multiple copies. We investigate the reliability and homogeneity among all the corona-virus species such as MERS CoV, Bat-CoV HKU4, Transmissible gastro-enteritis coronavirus (TGEV), Porcine epidemic diarrhea virus (PEDV), HCoV-229E and Whale-CoV SW1, M-CoV, Hedgehog coronavirus 1, Bulbul-CoV HKU11 etc, using a binary graph which is helpful in the findings of sequence reliability, secondary and tertiary structure model prediction using advanced model builder, we build the model of various protein/gene products by selecting them from SARS-COV 2, which further helpful in the finding of target-ligand binding for future therapeutic applications. Consequently by modeling the structure of the proteins we bring into being that envelop protein have pentameric protein lipid pores that allow ion transportation and were able to depict the active drug binding sites.