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

Abstract

Novel porphyrin compounds containing benzothiazole, benzoxazole, and benzimidazole moieties have been prepared and their structures have been confi rmed. Molecular docking of non-symmetric hetaryl-substituted porphyrins and chlorin e6 with SARS-CoV-2 helicase has been carried out. The affi nity of hetaryl-substituted porphyrins to this protein has been found signifi cantly higher than that of the drugs approved by the FDA and chlorin e6. The structure of the complexes of SARS-CoV-2 helicase with the considered macroheterocyclic compounds has been analyzed. Possible ways to inhibit and photoinactivate SARS-CoV helicase have been suggested basing on the localization of porphyrins and chlorin e6 in the helicase domains.

Coronaviruses SARS-CoV, MERS-CoV, and SARS-CoV-2 helicase inhibitors: a systematic review of in vitro studies

“…The remaining three articles 31 , 32 , 33 , 34 were eliminated Table S1 . At the end of this screening stage, three review articles 32 , 35 , 36 , nine computational studies 31 , 34 , 37 , 38 , 39 , 40 , 41 , 42 , 43 , three none-helicase studies 44 , 45 , 46 , three non-coronavirus studies 47 , 48 , 49 and four unrelated studies 25 , 50 , 51 , 52 were excluded from the analysis. One study was excluded after full review since it was a computation-based.…”