The present work focused on Phytochemical screening, characterization, anticancer activity and antibiological activity of ethyl acetate extract of Melochia corchorifolia leaves followed by molecular docking studies have been carried out. The plant leaves have been collected, weighed, and extracted with the soxhlet apparatus by using ethyl acetate solvent and then extracted are subjected to phytochemical screening. Antibiological activity of plant leaves ethyl acetate extract has been tested against six bacterial and two fungal strains using agar well diffusion methodology. The characterization of phytoconstituents compounds has been carried out using various spectroscopy method such as GC-MS (Gas chromatography Mass spectroscopy), UV-visible and Fourier-transform infrared. Auto dock tool (4.2.0) is used for molecular docking studies. The phytochemical analysis of Melochia corchorifolia ethyl acetate leaves, reveals the existence of carbohydrates, glycosides, triterpenes flavonoids and alkaloids. Antimicrobial activity is effective against gram-positive bacterial strains namely Staphylococcus aureus (17 mm), Bacillus subtilis (16 mm), the gram-negative bacterial strains namely Salmonella typhi (15 mm) and E. coli (14 mm). Moreover, the extract is also found to be effective against Aspergillus Niger (18 mm) fungal species. The GC-MS and FT-IR analysis show bioactive compounds and their functional groups. UV-VIS analysis results reveal that the presence of phytoconstituents derivatives in the range between 206-350 nm. The cytotoxicity activity for the MCF-7 cell line shows that the drug efficacy IC50 value is 148.836 (μg/mL). Further, the predicted bioactive compounds are docked with the cancer estrogen protein receptor (PDB ID: 3s7s) with ligand martidin-15 one shows the highest binding affinity. The study reveals the potential of Melochia corchorifolia leaves ethyl acetate extract showed antibiological and anticancer activity.

中文翻译：

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香楸叶乙酸乙酯提取物的表征与评价——抗癌抗癌抗生物及乳腺癌雌激素受体分子对接研究

目前的工作重点是香楸 叶乙酸乙酯提取物的植物化学筛选、表征、抗癌活性和抗生物活性， 随后进行了分子对接研究。植物叶子已被收集、称重和提取 用乙酸乙酯溶剂提取的索氏装置进行植物化学筛选。已经使用琼脂井扩散方法测试了植物叶子乙酸乙酯提取物对六种细菌和两种真菌菌株的抗微生物活性。植物成分化合物的表征已使用各种光谱方法进行，例如 GC-MS（气相色谱质谱）、紫外-可见光和傅里叶变换红外光谱。自动对接工具 (4.2.0) 用于分子对接研究。Melochia corchorifolia 乙酸乙酯 叶的植物化学分析 揭示了碳水化合物、糖苷、三萜类黄酮和生物碱的存在。抗菌活性对革兰氏阳性细菌菌株有效，即 金黄色葡萄球菌 （17 毫米）、 枯草芽孢杆菌 （16 毫米）、革兰氏阴性细菌菌株，即 伤寒沙门氏菌 （15 毫米）和 大肠杆菌 （14 毫米）。此外，还发现该提取物对 黑曲霉 （18 毫米）真菌物种有效。GC-MS 和 FT-IR 分析显示了生物活性化合物及其官能团。UV-VIS 分析结果表明在 206-350 nm 范围内存在植物成分衍生物。MCF-7细胞系的细胞毒活性表明药效IC50值为148.836(μg/mL)。 此外，预测的生物活性化合物与癌症雌激素蛋白受体（PDB ID：3s7s）对接，配体 martidin-15 显示出最高的结合亲和力。该研究揭示了木香 叶乙酸乙酯提取物 显示出抗生物和抗癌活性的潜力。