In vitro cholinesterase inhibitory action of Cannabis sativa L. Cannabaceae and in silico study of its selected phytocompounds
Autor: | Isaac Karimi, Namdar Yousofvand, Baydaa Abed Hussein |
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Rok vydání: | 2021 |
Předmět: |
Drug
biology media_common.quotation_subject Campesterol Cannabaceae Pharmacology biology.organism_classification Acetylcholinesterase chemistry.chemical_compound chemistry Automotive Engineering Tetrahydrocannabinolic acid biology.protein medicine Effects of cannabis Butyrylcholinesterase Cholinesterase medicine.drug media_common |
Zdroj: | In Silico Pharmacology. 9 |
ISSN: | 2193-9616 |
Popis: | Cannabis sativa L. Cannabaceae, used for psychoactive rituals in Mesopotamia. Here, we investigated in vitro inhibitory activity of methyl alcohol extract derived from leaves and resin of cannabis against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). Moreover, the binding affinity (BA; kcal/mol) of selected phytochemicals of cannabis to AChE and BChE has been predicted in silico. Phytochemicals of cannabis had acceptable BA towards AChE ranging from – 6.4 (beta-pinene) to – 11.4 (campesterol) and BChE ranging from – 5.5 (alpha-pinene) to – 9.8 (cannabioxepane). All cannabinoids, flavonoids (apigenin), terpenes, and phytosterols of cannabis were double inhibitors due they utilized hydrogen bonds and hydrophobically interacted with both catalytic triad and peripheral anionic site (PAS) of AChE and BChE. Campesterol is phytosterol docked with AChE and BChE via hydrogen bond and it will be a lead-like molecule for further drug design. Delta-9-Tetrahydrocannabinolic acid has been docked with AChE and BChE and it can be a candidate molecule for further drug design. To sum up, this study not only approved cholinesterase inhibitory effects of cannabis but also suggested an array of phytocompounds as hit small molecules for discovery or design of ecofriendly botanical antiinsectants or phytonootropic drugs. |
Databáze: | OpenAIRE |
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