As part of Denovicon Therapeutics’ commitment to COVID-19, we tasked our novel molecular modeling-artificial intelligence (AI) hybrid computational platform to find potential therapies from over 13,000 FDA-approved drugs and clinical candidates. The molecular modeling tier focused on identifying potential inhibitors of the SARS-CoV-2 main protease (Mpro, 3CLpro), while the AI tier was not restricted to a particular biological target or pathway. The overall effort lead to the identification of several promising late-stage clinical candidates that may impart therapeutic effect. Moreover, it provided insight into key chemical motifs surely to be beneficial in the design of future inhibitors for the main protease. Finally, it facilitated a unique perspective into other potentially therapeutic biological targets, pathways, and mechanisms for SARS-CoV-2.
This work has been published here.