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Fast-track computationally driven discovery of novel highly potent SARS-CoV-2 Mpro inhibitors

A group of scientists led by Qubit cooperated on computer-driven de novo design of potential active molecules, with the subsequent synthesis of the most promising inhibitors by Enamine and their in vitro activity testing at Università degli Studi di Padova. Within only a few months the collaborative efforts resulted in the discovery of several innovative scaffolds with low-nanomolar activity against Covid19 main protease setting a ground for finding new promising treatments.

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