Breast cancer in woman is the most common cancer and in 2018 there were around 2 million new cases recorded. The maximum rate of breast cancer is reported in Belgium followed by Luxembourg. It is the second most general cancer, Lung cancer being the first. If the cancer tumor is located only in the breast, the survival rate would be 99%. If the tumor has wide to lymph nodes around the survival rate would be 85% and if the tumor had extend to distant parts, the survival rate would come down to 27%. Mammary gland is an important organ in mammals which has potential function to secrete, synthesize and deliver milk to the infants for nourishment, improvement and protection. Generally, cancer is named after the body part in which it originated; thus, breast cancer refers to the erratic development and proliferation of cells that originate in the breast tissue (7). There are some kinds of tumors that may grow within various areas of the breast. Most tumors are the outcome of benign (non-cancerous) alters within the breast. The estrogen receptors (ER) in ordinary and diseased states are significant for the improvement of relevant therapeutic strategies. Two main forms of ER exist, ERα and ERβ, which are encoded by separate genes. Estrogens play a central role in breast cancer improvement with ERα status being the mainly significant predictor of breast cancer prognosis. The potent lead molecule binding mode, residue-interaction patterns and docking energy were examined by molecular docking and binding free energy studies. The lead compounds and 3ERT complex structural stability and dynamic behavior were monitored by molecular dynamics analysis. The drug-likeness properties of lead compounds were predicted ADME analysis.

女性乳腺癌是最常见的癌症，2018年记录了约200万例新病例。据报告，比利时的乳腺癌发病率最高，其次是卢森堡。它是第二大最普遍的癌症，肺癌是第一大癌症。如果癌瘤仅位于乳房中，则存活率为99％。如果肿瘤周围宽至淋巴结，存活率将为85％，如果肿瘤延伸至较远的部分，则存活率将降至27％。乳腺是哺乳动物的重要器官，具有分泌，合成乳汁并将其输送给婴儿以进行营养，改善和保护的潜在功能。通常，癌症是根据其起源的身体部位来命名的。从而，乳腺癌是指起源于乳腺组织的细胞的不稳定发育和增殖（7）。在乳房的各个区域中可能会生长某些类型的肿瘤。大多数肿瘤是乳房内良性（非癌性）改变的结果。正常和患病状态的雌激素受体（ER）对于改善相关治疗策略均具有重要意义。存在两种主要形式的ER，即ERα和ERβ，它们由不同的基因编码。雌激素在乳腺癌改善中起着核心作用，ERα状态是乳腺癌预后的主要重要预测因子。通过分子对接和结合自由能研究检查了有效的铅分子结合方式，残基相互作用模式和对接能。通过分子动力学分析监测了铅化合物和3ERT复合物的结构稳定性和动力学行为。铅化合物的类药物性质是通过ADME分析预测的。