Bioactivity of the cannabigerol cannabinoid and its analogues – the role of 3-dimensional conformation Journal Articles

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abstract

Computational docking reveals the influence of conformation on the inhibition of cytochrome P450 3A4. Such structure–activity relationships are dependent on intra-molecular interactions in cannabinoids, forming stabilised coiled structures.

authors

Salha, Mohammed
Adenusi, Henry
Dupuis, John H
Bodo, Enrico
Botta, Bruno
McKenzie, Iain
Yada, Rickey Y
Farrar, David
Magolan, Jakob
Tian, Kun V
Chass, Gregory

publication date

June 7, 2023

has subject area

0304 Medicinal and Biomolecular Chemistry (FoR)
0305 Organic Chemistry (FoR)
Cannabinoids (MeSH)
Molecular Conformation (MeSH)
Molecular Docking Simulation (MeSH)
Organic Chemistry (Science Metrix)
Quantitative Structure-Activity Relationship (MeSH)

published in

Organic and Biomolecular Chemistry Journal