Synthesis of Hetaryl-Substituted Asymmetric Porphyrins and Their Affinity to SARS-CoV-2 Helicase

Abstract

Abstract: Novel porphyrin compounds containing benzothiazole, benzoxazole, andbenzimidazole moieties have been prepared and their structures have beenconfirmed. Molecular docking of non-symmetric hetaryl-substituted porphyrins andchlorin e6 with SARS-CoV-2 helicase has been carried out. The affinity ofhetaryl-substituted porphyrins to this protein has been found significantlyhigher than that of the drugs approved by the FDA and chlorin e6. The structureof the complexes of SARS-CoV-2 helicase with the considered macroheterocycliccompounds has been analyzed. Possible ways to inhibit and photoinactivateSARS-CoV helicase have been suggested basing on the localization of porphyrinsand chlorin e6 in the helicase domains. [Figure not available: see fulltext.]