Urolithiasis, the deposit of stones in the urinary tract is a pertinent clinical issue in daily practice that imposes a burden on the human health system. Ficus religiosa plant has historically been useful in preventing urolithiasis. There is currently no information on phytochemical profiling that specifies the precise phytochemicals in the seed that are active against urolithiasis. F. religiosa seeds were extracted with different solvents in increasing order of their polarity by Soxhlet extraction. All the extracts were evaluated for their antioxidant potential. GC–MS profiling of the most potent antioxidant F. religiosa seed extract was done to evaluate the phytoconstituents. To evaluate the pharmacokinetics and drug-likeness properties of these compounds in silico ADMET analysis was done. To comprehend the binding potential of the best ADMET evaluated phytochemicals contained in the F. religiosa seed extract against the several protein targets (matrix metalloproteinases (MMP-2, MMP-9), and Human calcium-sensing receptor (CaSR)) and antioxidant enzymes (Glutathione S-transferase (GST), glutathione-disulfide reductase (GR), glutathione peroxidase (GPX), and superoxide dismutase (SOD)) involved in urolithiasis, multi targets based virtual screening tests were done using Autodock Vina tool. GC–MS profiling revealed the presence of 53 different compounds. Of all these compounds, based on ADMET analysis 2-Methoxy-4-vinylphenol; 3,5-Di-tert-butylphenol; diethyl benzene-1,2-dicarboxylate; 4-hydroxy-3,5-dimethoxybenzaldehyde; 2-methoxy-4-prop-2-enylphenol; and bis (2-methyl propyl) benzene-1,2-dicarboxylate were found to have best pharmacokinetics and drug-likeness properties. In the autodocking studies, 3,5-Di-tert-butyl phenol is proved to be the best of all in terms of binding energies with the selected targets. The findings of this study suggest a framework for employing F. religiosa seed ethyl acetate extract as a potent herbal treatment for urolithiasis.

中文翻译：

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评估榕树种子的抗尿石症潜力 GC MS 根据其体外抗氧化特性以及计算机 ADMET 和分子对接研究评估植物成分

尿石症，即尿路中结石的沉积，是日常实践中的一个相关临床问题，给人类健康系统带来了负担。宗教榕植物历来可用于预防尿石症。目前还没有关于植物化学分析的信息来具体说明种子中具有抗尿石症活性的精确植物化学物质。通过索氏提取，用不同的溶剂按照其极性的递增顺序提取 F. religiosa 种子。对所有提取物的抗氧化潜力进行了评估。对最有效的抗氧化剂佛陀种子提取物进行 GC-MS 分析，以评估其植物成分。为了评估这些化合物的药代动力学和药物相似特性，进行了计算机 ADMET 分析。为了了解经 ADMET 评估的最佳佛陀种子提取物中所含植物化学物质与多种蛋白质靶标（基质金属蛋白酶（MMP-2、MMP-9）和人类钙敏感受体 (CaSR)）和抗氧化酶的结合潜力（谷胱甘肽S-转移酶（GST）、谷胱甘肽二硫化物还原酶（GR）、谷胱甘肽过氧化物酶（GPX）和超氧化物歧化酶（SOD））与尿石症有关，使用Autodock Vina工具进行了基于多目标的虚拟筛选测试。GC-MS 分析显示存在 53 种不同的化合物。在所有这些化合物中，基于 ADMET 分析 2-甲氧基-4-乙烯基苯酚；3,5-二叔丁基苯酚；1,2-二甲酸二乙酯；4-羟基-3,5-二甲氧基苯甲醛；2-甲氧基-4-丙-2-烯基苯酚；和双(2-甲基丙基)苯-1，2-二羧酸酯被发现具有最佳的药代动力学和药物相似性。在自动对接研究中，3,5-二叔丁基苯酚被证明在与所选靶标的结合能方面是最好的。这项研究的结果提出了使用宗教佛陀种子乙酸乙酯提取物作为有效草药治疗尿石症的框架。