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bioRxiv · 10.1101/2023.11.11.566677

Exploring the Therapeutic Potential of Cannabis Constituents in Parkinson's Disease: Insights from Molecular Docking Studies

Aziz, M.·Rehman, H.·Iqbal, A.·Nawaz, A.·Arshad, F.·Hussain, M.·Siddique, T.·Sehgal, A.·Sajid, M.
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Abstract

Cannabis, often known as marihuana, marijuana, hashish, and hash, belongs to the genus Cannabis sativa L. This plant has excellent potential for the treatment of several brain disorders. Phytochemical compounds in this plant act as antioxidants, preserving synaptic plasticity and preventing neuronal degeneration. The neurodegenerative condition Parkinsons has emerged as one of the most significant health concerns of the twenty-first century. A detailed in silico molecular docking study was carried out to assess the neuroprotective effects of cannabis compounds against four potential targets of PD, including monoamine oxidase B (MAO-B), catechol-O-methyltransferase (COMT), alpha-synuclein (ASN), and Adenosine A2A receptor (A2A). Physicochemical properties, drug-likeness, toxicity, and ADMET profiles were also investigated. In this docking study, the cannabis compound cannabicyclol showed a superior docking score of -10.8 kcal/mol with the MAO-B protein. Based on these results, cannabicyclol and the target protein MAO-B were used to perform MD simulations to analyze their stability at 100 ns. Furthermore, it is crucial to carry out in vitro and in vivo investigations to enhance the potency of cannabis components and understand the processes underlying the suppression of Parkinsons disease-related enzymes. O_FIG O_LINKSMALLFIG WIDTH=200 HEIGHT=145 SRC="FIGDIR/small/566677v1_ufig1.gif" ALT="Figure 1"> View larger version (43K): org.highwire.dtl.DTLVardef@15f455borg.highwire.dtl.DTLVardef@1c26038org.highwire.dtl.DTLVardef@3b32c6org.highwire.dtl.DTLVardef@82926b_HPS_FORMAT_FIGEXP M_FIG C_FIG

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Aziz, M., Rehman, H., Iqbal, A., Nawaz, A., Arshad, F., Hussain, M., Siddique, T., Sehgal, A., Sajid, M.. 2023-11-15. Exploring the Therapeutic Potential of Cannabis Constituents in Parkinson's Disease: Insights from Molecular Docking Studies. https://doi.org/10.1101/2023.11.11.566677

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