Anti-COVID drugs: repurposing existing drugs or search for new complex entities, strategies and perspectives

Future Medicinal Chemistry
Anna Pawełczyk, Lucjusz Zaprutko

Abstract

At the end of 2019, a novel virus causing severe acute respiratory syndrome to spread globally. There are currently no effective drugs targeting SARS-CoV-2. In this study, based on the analysis of numerous references and selected methods of computational chemistry, the strategy of integrative structural modification of small molecules with antiviral activity into potential active complex molecules has been presented. Proposed molecules have been designed based on the structure of triterpene oleanolic acid and complemented by structures characteristic of selected anti-COVID therapy assisted drugs. Their pharmaceutical molecular parameters and the preliminary bioactivity were calculated and predicted. The results of the above analyses show that among the designed complex substances there are potential antiviral agents directed mainly on SARS-CoV-2.

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Citations

Nov 25, 2020·Heliyon·Dhurairaj SatheeshKasi Chithra
Apr 4, 2021·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Alberto AsteggianoClaudio Medana
Aug 3, 2021·Virusdisease·Zahra Setayesh-Mehr, Mahdiye Poorsargol
Oct 4, 2021·Environmental Science and Pollution Research International·Varsha TiwariRenu Saharan

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