In-silico and in-vitro studies of two cannabinoids of Cannabis sativa against prostate cancer

Jasmeet Kaur, Sanaa Ismael Abdul Jabar, A. Malik, Humaira Farooqi, Sourab Agarwal, B. Panda
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Abstract

The phytochemical profiling of different extracts revealed the presence of high concentration of CBD in 80:20 hydroalcoholic extract, and that of THC in 60:40 hydroalcoholic extract. The MTT assay of combination of CBD and THC highlighted the extracts as potent cytotoxic agents against prostate cancer (PC3) cells, with IC50 values of 1292 ng/ml, 953.3 ng/ml and 1134 ng/ml, respectively for HCP-CO4, HCM-CO1 & HCZ-CO1. The molecular docking study revealed a good binding of androgen receptor (PDB ID, 2am9) with CBD and THC possessing binding affinity energy of -7.1 and -7.2 kcal/mol respectively. Based on the amino acid residual interaction of CBD and THC within the 2am9 receptor, THC reported additional hydrogen bonds as compared to CBD, suggesting it to be more potent antagonist in comparison to CBD. The present study highlighted the potential of CBD and THC as a therapeutic agent for treatment of prostate cancer.
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针对前列腺癌的两种大麻素的硅内和体外研究
不同提取物的植物化学成分分析表明,80:20 水醇提取物中含有高浓度的 CBD,60:40 水醇提取物中含有高浓度的 THC。CBD 和 THC 组合的 MTT 试验表明,这些提取物对前列腺癌(PC3)细胞具有很强的细胞毒性,HCP-CO4、HCM-CO1 和 HCZ-CO1 的 IC50 值分别为 1292 ng/ml、953.3 ng/ml 和 1134 ng/ml。分子对接研究表明,雄激素受体(PDB ID,2am9)与 CBD 和 THC 的结合亲和能分别为 -7.1 和 -7.2 kcal/mol。根据 CBD 和 THC 在 2am9 受体中的氨基酸残余相互作用,与 CBD 相比,THC 报告了更多的氢键,这表明与 CBD 相比,THC 是更有效的拮抗剂。本研究强调了 CBD 和 THC 作为前列腺癌治疗剂的潜力。
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