Binding of boswellic acids to functional proteins of the SARS-CoV-2 virus: Bioinformatic studies.

ABSTRACT: Boswellic acids (BAs) have been shown to possess antiviral activity. Using bioinformatic methods, it was tested whether or not acetyl-11-keto-β-boswellic acid (AKBA), 11-keto-β-boswellic acid (KBA), β-boswellic acid (BBA), and the phosphorylated active metabolite of Remdesivir® (RGS-P3) bind to functional proteins of SARS-CoV-2, that is, the replicase polyprotein P0DTD1, the spike glycoprotein P0DTC2, and the nucleoprotein P0DTC9. Using P0DTD1, AKBA and KBA showed micromolar binding affinity to the RNA-dependent RNA polymerase (RdRp) and to the main proteinase complex M^pro . Phosphorylated BAs even bond in the nanomolar range. Due to their positive and negative charges, BAs and RGS-P3 bond to corresponding negative and positive areas of the protein. BAs and RGS-P3 docked in the

SUBMITTER: Caliebe RH 

PROVIDER: S-EPMC8646807 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature