A Review on Computer-Aided Chemogenomics and Drug Repositioning for Rational COVID-19 Drug Discovery

The review discussed the role of computer-aided drug discovery (CADD) and drug repositioning (DR) in the rapid development of COVID-19 treatments, emphasizing their cost-effectiveness and efficiency compared to traditional methods. It highlighted the potential of repositioning existing antiviral drugs like remdesivir and molnupiravir, although no new effective drugs were approved. Computational methods, such as QSAR models and molecular docking, were used to identify potential inhibitors of SARS-CoV-2 proteins, with several promising compounds identified but still undergoing trials. Chemogenomics integrated chemical genetics and biology to screen compounds, aiming to reduce costs and enhance efficiency. The review underscored the importance of DR in urgent situations like the pandemic, despite challenges in finding definitive therapies, and noted the promising future of CADD in drug discovery.