Druggability of cavity pockets within SARS-CoV-2 spike glycoprotein and pharmacophore-based drug discovery

Aim: Virus spike glycoprotein of SARS-CoV-2 is a good target for drug discovery. Objective: To examine the potential druggability protein pharmacophore-based discovery and to investigate binding affinity natural products with protein. Methods: Druggable cavities were searched though CavityPlus. A pharmacophore was built used hit identification. Autodock Vina evaluate hits' affinities. 10 chemical derivatives also made from backbone optimize lead compound. Results: druggable found within spike. Only one cavity highest score at site selected extraction. Hit identification resulted in 410 hits. Discussion: This study provides region viral candidate compound block entry.