探索植物成分治疗多囊卵巢综合征的治疗潜力:一项研究

B. Premkumar, Chandrasekar Leela Priyanka, C. Nalini, Mahalakshmi.
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摘要

多囊卵巢综合征(PCOS)是育龄妇女的一种常见病,其特征是高胰岛素血症、高雄激素症、月经不规则和长期代谢紊乱。目前,治疗多囊卵巢综合征的传统方法包括改变生活方式、实施药物干预和实施外科手术。然而,这些疗法并没有显示出全面根除它的有希望的结果。因此,天然来源被认为是一种高度尊重的药物治疗手段,有助于改善和调节多囊卵巢综合征的病情。目前的研究旨在筛选各种植物成分,重点关注它们与雄激素靶点(1E3G和2PIV)、雌激素受体(1U3S)和胰岛素受体(3EKK)的潜在相互作用。对PCOS中记录的植物成分汇编进行了评估,目的是通过一种方法预测药物样特征。选取了芹菜素、小檗碱、秋水仙碱、秋水仙碱、二肾上腺素、莫葛苷V、柚皮素、槲皮素、白藜芦醇、鼠李柠檬素、水飞蓟宾、丹参酮IIA、troxerutin等13种植物成分进行研究。使用AutoDock Vina对植物成分进行分子对接研究,以研究它们与拟议靶点的结合相互作用。此外,对这些植物成分的毒性进行了计算机预测。所选择的植物成分在口服生物利用度和药物相似性方面表现出良好的药代动力学特征,由利平斯基的五法则确定。对接结果显示,Apigenin、Tanshinone IIA、Naringenin和Berberine四种化合物与靶标的变构位点残基表现出明显的结合作用。经过筛选鉴定的植物成分显示出作为后续开发的潜在候选物的潜力。然而,必须通过体外和体内研究来验证这些发现。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Exploring the therapeutic potential of phytoconstituents in treatment of polycystic ovarian syndrome: An study
Polycystic ovary syndrome (PCOS) is a prevalent condition among women of reproductive age, characterised by hyperinsulinemia, hyperandrogenism, menstrual irregularities, and long-term metabolic disturbances. At present, the conventional approach to managing PCOS involves implementing lifestyle changes, administering pharmacological interventions, and performing surgical procedures. Nevertheless, these therapies do not exhibit promising outcomes for the comprehensive eradication of it. Consequently, natural sources have been regarded as a highly esteemed means of medication and aid in enhancing and regulating PCOS conditions. The current study was designed to conduct a screening of various phytoconstituents with a focus on their potential interaction with androgenic targets (1E3G & 2PIV), estrogenic receptors (1U3S), and insulin receptors (3EKK). An assessment was conducted on a compilation of phytoconstituents documented in PCOS with the aim of forecasting drug-like characteristics through an methodology. Thirteen phytoconstituents were selected for the study, namely apigenin, berberine, erdosteine, colchicine, diacerin, mogroside V, naringenin, quercetin, resveratrol, rhamnocitrin, silibinin, tanshinone IIA, and troxerutin. The phytoconstituents were subjected to molecular docking studies using AutoDock Vina to investigate their binding interactions with proposed targets. Additionally, in silico prediction of the toxicity of these phytoconstituents was conducted. The phytoconstituents that were chosen exhibited favourable pharmacokinetic characteristics for oral bioavailability and drug-likeness, as determined by Lipinski's rule of five. As per the docking results, it was observed that four compounds, namely Apigenin, Tanshinone IIA, Naringenin, and Berberine, exhibited significant binding interactions with the allosteric site residues of the targets. The identified phytoconstituents that underwent screening exhibit potential as prospective candidates for subsequent development. However, it is imperative to validate the findings through in vitro and in vivo investigations.
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