The COVID-19 pandemic caused by severe acute respiratory syndrome-coronavirus 2 (SARS-CoV-2) is a global health emergency. An attractive drug target for this coronavirus is the main protease (3C-like proteinase, 3CL^pro, M^pro) because of its essential role in processing the polyproteins that are translated from the viral RNA.

OTAVAchemicals Innovative Therapeutic Targets Library (2989 compounds in total) is designed to accelerate the discovery of inhibitors for key proteins, including farnesyl protein transferase (FPT), HIV-1 capsid protein p24 (GAG), exportin 1 (XPO1), and β-cardiac myosin 7 (MYH7). Developed using DrugBank and ZINC databases and incorporating machine learning for virtual screening, this library offers a curated collection of molecules for advancing drug development by enhancing screening efficiency and accuracy.