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

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 f...

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Autores principales: Pinzi, Luca, Lherbet, Christian, Baltas, Michel, Pellati, Federica, Rastelli, Giulio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2019
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6680637/
https://www.ncbi.nlm.nih.gov/pubmed/31311157
http://dx.doi.org/10.3390/molecules24142567
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author Pinzi, Luca
Lherbet, Christian
Baltas, Michel
Pellati, Federica
Rastelli, Giulio
author_facet Pinzi, Luca
Lherbet, Christian
Baltas, Michel
Pellati, Federica
Rastelli, Giulio
author_sort Pinzi, Luca
collection PubMed
description 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.
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spelling pubmed-66806372019-08-09 In Silico Repositioning of Cannabigerol as a Novel Inhibitor of the Enoyl Acyl Carrier Protein (ACP) Reductase (InhA) Pinzi, Luca Lherbet, Christian Baltas, Michel Pellati, Federica Rastelli, Giulio Molecules Article 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. MDPI 2019-07-15 /pmc/articles/PMC6680637/ /pubmed/31311157 http://dx.doi.org/10.3390/molecules24142567 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Pinzi, Luca
Lherbet, Christian
Baltas, Michel
Pellati, Federica
Rastelli, Giulio
In Silico Repositioning of Cannabigerol as a Novel Inhibitor of the Enoyl Acyl Carrier Protein (ACP) Reductase (InhA)
title In Silico Repositioning of Cannabigerol as a Novel Inhibitor of the Enoyl Acyl Carrier Protein (ACP) Reductase (InhA)
title_full In Silico Repositioning of Cannabigerol as a Novel Inhibitor of the Enoyl Acyl Carrier Protein (ACP) Reductase (InhA)
title_fullStr In Silico Repositioning of Cannabigerol as a Novel Inhibitor of the Enoyl Acyl Carrier Protein (ACP) Reductase (InhA)
title_full_unstemmed In Silico Repositioning of Cannabigerol as a Novel Inhibitor of the Enoyl Acyl Carrier Protein (ACP) Reductase (InhA)
title_short In Silico Repositioning of Cannabigerol as a Novel Inhibitor of the Enoyl Acyl Carrier Protein (ACP) Reductase (InhA)
title_sort in silico repositioning of cannabigerol as a novel inhibitor of the enoyl acyl carrier protein (acp) reductase (inha)
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6680637/
https://www.ncbi.nlm.nih.gov/pubmed/31311157
http://dx.doi.org/10.3390/molecules24142567
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