Riaz Sania, Haider Fatima, Ur-Rehman Rizwan-, Zafar Aqsa
Department of Bioinformatics and Biosciences, Capital University of Science and Technology, Islamabad, Pakistan.
J Integr Bioinform. 2024 Dec 12;21(4). doi: 10.1515/jib-2024-0019. eCollection 2024 Dec 1.
PCOS is a multifaceted condition characterized by ovarian abnormalities, metabolic disorders, anovulation, and hormonal imbalances. In response to the growing demand for treatments with fewer side effects, the exploration of herbal-origin drugs has gained prominence. , a traditional medicinal plant that exhibits anti-inflammatory, antioxidant, and anti-androgenic properties may have a cure for PCOS. The plant has rich biochemical profile prompted its exploration as a potential source for drug development. The aim of this study is to investigate the potential therapeutic efficacy of in the management of PCOS through molecular docking studies with Luteinizing Hormone Receptor and Follicle-Stimulating Hormone Receptor proteins. The identified compounds underwent molecular docking against key proteins associated with PCOS, namely Luteinizing Hormone Receptor and Follicle-Stimulating Hormone Receptor. The results underscored the lead compound's superiority, demonstrating favorable pharmacokinetics, ADME characteristics, and strong molecular binding without any observed toxicity in comparison to standard drug. This study, by leveraging natural compounds sourced from , provides valuable insights and advances towards developing more effective and safer treatments for PCOS. The findings contribute to the evolving landscape of PCOS therapeutics, emphasizing the potential of herbal-origin drugs in mitigating the complexities of this syndrome.
多囊卵巢综合征(PCOS)是一种多方面的病症,其特征为卵巢异常、代谢紊乱、无排卵和激素失衡。随着对副作用较少的治疗方法需求不断增加,对草药来源药物的探索变得愈发重要。一种具有抗炎、抗氧化和抗雄激素特性的传统药用植物可能为多囊卵巢综合征提供治疗方法。该植物丰富的生化特性促使其成为药物开发的潜在来源。本研究的目的是通过与促黄体生成素受体和促卵泡激素受体蛋白进行分子对接研究,探讨该植物在多囊卵巢综合征治疗中的潜在疗效。所鉴定的化合物针对与多囊卵巢综合征相关的关键蛋白,即促黄体生成素受体和促卵泡激素受体进行了分子对接。结果突出了先导化合物的优势,与标准药物相比,显示出良好的药代动力学、药物代谢动力学特性以及强烈的分子结合力,且未观察到任何毒性。本研究通过利用从该植物中提取的天然化合物,为开发更有效、更安全的多囊卵巢综合征治疗方法提供了有价值的见解和进展。这些发现有助于多囊卵巢综合征治疗领域的不断发展,强调了草药来源药物在缓解该综合征复杂性方面的潜力。