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    Area of Science:

    • Pharmacogenomics
    • Drug Metabolism
    • Neuroscience

    Background:

    • Cytochrome P450 2D6 (CYP2D6) is a key enzyme in liver and brain, metabolizing drugs and endogenous compounds like anandamide (AEA).
    • CYP2D6 exhibits significant genetic polymorphism, affecting its activity and drug response.
    • Phytocannabinoids (pCBs) are gaining medicinal importance, necessitating an understanding of their metabolic pathways and interactions with human enzymes.

    Purpose of the Study:

    • To investigate the interactions between common CYP2D6 polymorphisms and various popular phytocannabinoids (pCBs).
    • To explore the differential binding and inhibitory effects of pCBs on wild-type (WT) and polymorphic CYP2D6 variants.
    • To elucidate the mechanism of pCB binding and potential regulation of anandamide (AEA) metabolism by CBD.

    Main Methods:

    • In silico analysis of four prevalent CYP2D6 polymorphisms (e.g., CYP2D6*17) and their interactions with selected pCBs (CBD, THC, CBDV, THCV, CBN, CBG, CBC, β-carophyllene).
    • Comparative analysis of WT CYP2D6 and CYP2D6*17 interactions with pCBs.
    • Molecular dynamics simulations to determine binding, inhibition, and regulatory mechanisms.

    Main Results:

    • Differential binding affinities were observed between CYP2D6*17 and pCBs compared to WT CYP2D6.
    • CBD demonstrated potential regulation of anandamide (AEA) metabolism, particularly with the *17 variant.
    • Molecular dynamics simulations provided mechanistic insights into pCB-CYP2D6 interactions.

    Conclusions:

    • CYP2D6-phytocannabinoid interactions are influenced by specific CYP2D6 genetic polymorphisms.
    • The findings highlight the importance of pharmacogenomics in understanding pCB efficacy and safety.
    • This research provides a foundation for personalized cannabinoid-based therapies.