SARS-CoV-2 Pocketome: Severe Acute Respiratory Syndrome Coronavirus 2, Pockets Identification for Antiviral & Antimicrobial Phytomolecules and Drug Repurposing

2020-06-23T13:03:18Z (GMT) by Akhil Kumar Ajit Kumar Shasany
According to WHO, the current Coronavirus disease situation is 8,506,107 confirmed and 455,231 death cases in approx 216 Countries, areas, or territories. For the treatment of Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) drug repurposing seems to be an effective strategy as it could shorten the time and reduce the cost compared to de novo drug discovery. For that, we need to identify target binding sites. Thus, we have reported for the first time structural druggability assessment for SARS-CoV-2 proteome a pan-druggability prediction based on the open-source pocket detection code fpocket and rank them on the basis of druggability score. We have identified in a total of 433 pockets on the SARS-CoV-2 proteome and characterized by physicochemical descriptors. In which, 47 pockets identified as druggable and 71 as potential drug-binding pockets.