Computational Methods in Road towards Drug Discovery against SARS-CoV2

CoV) Initially, it was considered a spill-over and that 3 . the infection was disseminated into the local pool by animal-to-human contact; however, later human-to4 human transmission was confirmed in patients with n-CoV in the southern part of China. The genome of the virus is around 30 kb encoding 15 proteins. As, SARS-CoV2 has emerged recently, there is currently no drug or vaccine available to combat 4 this deadly pandemic. The high number of deaths associated with the virus is because of lack of treatment for SARS-CoV2. Therefore, the development of a seamless, smooth and quick process for the discovery of drugs against the virus is the need of the day. The identification of novel drug compound is drug discovery. This is a complex process as it involves various fields of sciences apart from being laborious and time-consuming process. It is for this reason numerous techniques of virtual screening were introduced in order to overcome the delays that usually hampers the development of 5-8 drugs. For example, using virtual screening some of the protein structures of SARs-CoV2 have been stored in the protein data bank, and further structure can be added to the data bank via computational analysis. This review article summarizes the drug design via virtual screening based on their structure, ligand interactions with their receptors and the analysis of their potential efficacy against SARsCoV2. Introduction The novel coronavirus has affected more than 24 million people across the world including 6.7 million active cases, 61,400 critical cases and 835,679 deaths have been reported by the World Health , Organization (WHO), till date. In order to track the 1 2