International Journal of Science and Research (IJSR)

International Journal of Science and Research (IJSR)
Call for Papers | Fully Refereed | Open Access | Double Blind Peer Reviewed

ISSN: 2319-7064


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Research Paper | Pharmacology and Toxicology | India | Volume 12 Issue 10, October 2023


Prediction of Rat Oral Toxicity, Genotoxicity and Toxicological Pathways of Selected Phytochemicals of Cannabis sativa Linn.: An in silico Approach

Kallol Sil | Kaushick Mishra [2] | Soumendra Nath Talapatra [9]


Abstract: It was predicted acute toxicity (rat oral LD50), genotoxicity, toxicological mechanisms of selected phytochemicals of Cannabis sativa. The 11 types of phytochemicals of leaf were selected as per literature.The ProTox-II webserver was used for predictive studies for toxicity and its mechanisms. The rat oral acute toxicity (LD50) as mg/Kg, which predicted as class 4 and 6 toxicity class. Out of 11 compounds, six compounds viz. Delta-9-tetrahydrocannabinol, Cannabidiol, Cannabigerol, Cannabichromene, Oleic acid amide and Cannabidiphorol as Class 4 toxicity [prescribed harmful after swallowing (2000< LD50?5000)] while rest five compounds were predicted non-toxic as class 6. For hepatotoxicity, all the compounds were non-hepatotoxic as inactive. For immunotoxicity prediction, seven compounds viz. Delta-9-tetrahydrocannabinol, Cannabidiol, Cannabinol, Cannabichromene, Anandamide, N-Arachidonoyldopamine and Cannabidiphorol were immunotoxic. For genotoxicity end points, all the compounds were non-cytotoxic, non-carcinogenic and non-mutagenicas inactive. But Anandamide was predicted carcinogenic active. For nuclear receptor signalling pathway in which three compounds viz. Delta-9-tetrahydrocannabinol, Cannabinol and Cannabichromene were predicted AhR active. For AR and AR-LBD, all compounds were observed inactive. For Ar, two compounds viz. Delta-9-tetrahydrocannabinol, and Cannabichromene were found active. For ER, ER-LBD and PPAR-?, all the studied compounds were inactive. For stress response pathway, one compound viz. 2-Arachidonoylglycerol was predicted ARE and HSE active. For McMP, eight compounds viz. Delta-9-tetrahydrocannabinol, Cannabidiol, Cannabinol, Cannabigerol, Cannabichromene, N-Arachidonoyldopamine, Oleic acid amide and Cannabidiphorol were observed active. For p53 and ATAD5, all compounds were predicted inactive. This predictive resultindicated overall toxicological mechanisms of phytocompounds of C. sativa, which helps in future experimental study.


Keywords: Cannabis sativa, Predictive toxicology, Molecular mechanism of toxicity, Nuclear receptor signalling and stress response pathways


Edition: Volume 12 Issue 10, October 2023,


Pages: 2074 - 2079


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