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Pharmacophore Modeling for Targets with Extensive Ligand Libraries: A Case Study on SARS-CoV-2 Mpro
Published on: September 26, 2025
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Modeling the binding of protoporphyrin IX, verteporfin, and chlorin e6 to SARS-CoV-2 proteins
Oskar I Koifman1,2, Natalia Sh Lebedeva1, Yury A Gubarev1
1G. A. Krestov Institute of Solution Chemistry, Russian Academy of Sciences, 1 Akademicheskaya St, Ivanovo, 153045 Russia.
Chemistry of Heterocyclic Compounds
|May 19, 2021
Abstract:
In this work, we analyze the latest data on the molecular docking of a range of SARS-CoV-2 proteins to protoporphyrin IX, verteporfin, and chlorin e6, as well as consider the prospects for using chlorins and porphyrins as agents for photoinactivation of the SARS2 virus.
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