Canna~Fangled Abstracts

In Silico Repositioning of Cannabigerol as a Novel Inhibitor of the Enoyl Acyl Carrier Protein (ACP) Reductase (InhA).

By July 15, 2019 July 18th, 2019 No Comments
2019 Jul 15;24(14). pii: E2567. doi: 10.3390/molecules24142567.

Abstract

Cannabigerol (CBG) and cannabichromene (CBC) are non-psychoactive cannabinoids that have raised increasing interest in recent years. These compounds exhibit good tolerability and low toxicity, representing promising candidates for drug repositioning. To identify novel potential therapeutic targets for CBG and CBC, an integrated ligand-based and structure-based study was performed. The results of the analysis led to the identification of CBG as a low micromolar inhibitor of the Enoyl acyl carrier protein (ACP) reductase (InhA) enzyme.

KEYWORDS: BEAR, cannabinoids, docking, drug repurposing, ligand-based virtual screening, molecular modelling, natural products

PMID: 31311157
DOI: 10.3390/molecules24142567

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