Background: Breast Cancer (BC), a common fatal 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 drugs 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 phytoconstituents on ER-α.

Methods: Glide and induced fit docking followed by ADME, automated QSAR and binding free energy (Δ_Gbind) studies were used to evaluate 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 Δ_Gbind 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 verify the ability of these compounds.

背景：乳腺癌 (BC) 是一种常见的致命疾病，是仅次于肺癌的最致命癌症，其特征是乳房组织中的细胞异常生长。BC 化疗的特点是靶向某些受体的活性，例如雌激素受体 α (ER-α)。目前，最常用和批准上市的治疗BC的药物之一是他莫昔芬。尽管他莫昔芬的使用在短期内取得了成功，但其长期治疗与显着的副作用有关。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：在本研究中，我们评估了大麻植物成分对 ER-α 的抑制作用。

方法：使用 Glide 和诱导贴合对接，然后进行 ADME、自动 QSAR 和结合自由能 ( _ΔGbind ) 研究来评估大麻的抗乳腺癌和 ER-α 抑制活性，据报道大麻可有效抑制乳腺癌。癌细胞增殖。

结果：与他莫昔芬相比，大麻的植物成分具有较低的对接分数和良好的 Δ _{Gbind 。}ADME 和 AutoQSAR 研究表明，我们的先导化合物展示了使它们成为有前途的治疗剂所需的特性。

结论：本研究结果表明，柚皮素、二氢白藜芦醇、黄芩素、芹菜素和大麻三醇比他莫昔芬具有相对更好的抑制活性，可能是治疗BC更好的专利候选药物。可以进行进一步的研究，例如体内和/或体外测定，以验证这些化合物的能力。