Theoretical and experimental study of interaction of macroheterocyclic compounds with ORF3a of SARS-CoV-2.

ABSTRACT: The pandemic infectious disease (Covid-19) caused by the coronavirus (SARS-CoV2) is spreading rapidly around the world. Covid-19 does an irreparable harm to the health and life of people. It also has a negative financial impact on the economies of most countries of the world. In this regard, the issue of creating drugs aimed at combating this disease is especially acute. In this work, molecular docking was used to study the docking of 23 compounds with QRF3a SARS-CoV2. The performed in silico modeling made it possible to identify leading compounds capable of exerting a potential inhibitory and virucidal effect. The leading compounds include chlorin (a drug used in PDT), iron(III)protoporphyrin (endogenous porphyrin), and tetraanthraquinone porphyrazine (an exogenous substance). Having take

SUBMITTER: Lebedeva NS 

PROVIDER: S-EPMC8484456 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature