Ontology highlight
ABSTRACT:
SUBMITTER: Elkaeed EB
PROVIDER: S-EPMC9505301 | biostudies-literature | 2022 Sep
REPOSITORIES: biostudies-literature
Elkaeed Eslam B EB Metwaly Ahmed M AM Alesawy Mohamed S MS Saleh Abdulrahman M AM Alsfouk Aisha A AA Eissa Ibrahim H IH
Life (Basel, Switzerland) 20220909 9
As an extension of our research against COVID-19, a multiphase <i>in silico</i> approach was applied in the selection of the three most common inhibitors (Glycyrrhizoflavone (<b>76</b>), Arctigenin (<b>94</b>)<b>,</b> and Thiangazole (<b>298</b>)) against papain-like protease, PLpro (PDB ID: 4OW0), among 310 metabolites of natural origin. All compounds of the exam set were reported as antivirals. The structural similarity between the examined compound set and <b>S88</b>, the co-crystallized liga ...[more]