Department of Biochemistry, Adekunle Ajasin University, Akungba-Akoko, Ondo State, Nigeria.
Department of Micrbiology, Adekunle Ajasin University, Akungba-Akoko, Ondo State, Nigeria.
Recent Pat Anticancer Drug Discov. 2021;16(2):273-284. doi: 10.2174/1574892816666210201115359.
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.
In this study, we evaluate the inhibitory effect of Cannabis sativa phytoconstituents on ER-α.
Glide and induced fit docking followed by ADME, automated QSAR and binding free energy (Δ) 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.
Phyto-constituents of Cannabis sativa possess lower docking scores and good Δ 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.
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.
乳腺癌（BC）是一种常见的致命疾病，是仅次于肺癌的第二大最致命的癌症，其特征是乳房组织中细胞的异常生长。BC 化疗的特点是针对某些受体（如雌激素受体 alpha（ER-α））的活性。目前，BC 最常用和批准的市场治疗药物之一是他莫昔芬。尽管他莫昔芬短期使用取得了成功，但长期使用与显著的副作用有关。因此，迫切需要开发新型抗雌激素药物来预防和治疗 BC。
在这项研究中，我们评估了大麻植物成分对 ER-α 的抑制作用。
采用 Glide 和诱导契合对接，然后进行 ADME、自动 QSAR 和结合自由能（Δ）研究，以评估大麻中被报道能有效抑制乳腺癌细胞增殖的植物成分对乳腺癌和 ER-α 的抑制活性。
与他莫昔芬相比，大麻植物成分的对接评分较低，但Δ较好。ADME 和 AutoQSAR 研究表明，我们的先导化合物具有成为有前途的治疗剂所需的特性。
这项研究的结果表明，柚皮素、二氢白藜芦醇、白杨素、芹菜素和大麻三醇可能比他莫昔芬具有相对更好的抑制活性，并且可能是治疗 BC 的更好和更有专利治疗候选药物。可以进行进一步的研究，如体内和/或体外试验，以验证这些化合物的能力。
