BACKGROUND Breast Cancer (BC), a common death-causing disease and the deadliest cancer next to lung cancer, is characterized by an abnormal growth of cells in the tissues of the breast. BC chemotherapy is marked by targeting the activities of some receptors such as Estrogen Receptor alpha (ER-α). At present, one of the most commonly used and approved marketed therapeutic drug for BC is tamoxifen. Despite the short term success of tamoxifen usage, its long time treatment has been associated with significant side effects. Therefore, there is a pressing need for the development of novel anti-estrogens for the prevention and treatment of BC. OBJECTIVE In this study, we evaluate the inhibitory effect of Cannabis Sativa phyto-constituents on ER-α. METHOD Glide and Induced Fit Docking followed by ADME, Automated QSAR and Binding free energy (ΔGbind) studies were used to evaluate the anti-breast cancer and ER-α inhibitory activity of Cannabis sativa, which has been reported to be effective in inhibiting breast cancer cell proliferation. RESULTS Phyto-constituents of Cannabis sativa possess lower docking scores and good ΔGbind when compared to that of tamoxifen. ADME and AutoQSAR studies revealed that our lead compounds demonstrated the properties required to make them promising therapeutic agents. CONCLUSION The results of this study suggest that Naringenin, Dihydroresveratrol, Baicalein, Apigenin and Cannabitriol could have relatively better inhibitory activity than tamoxifen and could be a better and patent therapeutic candidate in the treatment of BC. Further research such as in vivo and/or in vitro assays could be conducted to attest the ability of these compounds.

中文翻译：

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诱导对接坞和自动QSAR研究揭示了大麻对大麻的ER-α抑制活性。

背景技术乳腺癌（BC）是常见的致死性疾病，并且是仅次于肺癌的最致命的癌症，其特征在于乳房组织中细胞的异常生长。靶向某些受体（例如，雌激素受体α（ER-α））的活性标志着BC化疗。目前，他莫昔芬是最常用和批准的不列颠哥伦比亚省上市的治疗药物之一。尽管他莫昔芬的短期使用取得了成功，但长期服用他莫昔芬仍具有明显的副作用。因此，迫切需要开发用于预防和治疗BC的新型抗雌激素。目的在这项研究中，我们评估了大麻植物基成分对ER-α的抑制作用。方法滑行和诱导拟合对接，然后进行ADME，自动化的QSAR和结合自由能（ΔGbind）研究用于评估大麻的抗乳腺癌和ER-α抑制活性，据报道，该活性可有效抑制乳腺癌细胞的增殖。结果大麻的植物成分与他莫昔芬相比具有较低的对接分数和良好的ΔGbind。ADME和AutoQSAR研究表明，我们的先导化合物证明了使其成为有前途的治疗剂所需的性能。结论这项研究结果表明，柚皮素，二氢白藜芦醇，黄ical素，芹菜素和卡那比妥比三苯氧胺具有相对更好的抑制活性，并且可能是治疗BC的更好的专利治疗候选药物。