西里科 Abrus precatorius L. 次级代谢物网络相关性分析

Azka Khoirunnisa, A. Jamil, Artabah Muchlisin
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摘要

癌症仍然是一个全球性的健康挑战,促使全世界开展广泛的研究工作。肺癌是第二大确诊癌症,存活率特别低。在印度尼西亚,癌症发病率居高不下,每年有数百万人受到影响,数十万人死于癌症。传统医学一直是许多人的首选,因为它被认为更安全、更实惠。Abrus precatorius L.是一种古老的药用植物,具有丰富的使用历史和多种药理活性,包括抗癌特性,在这方面大有可为。本研究利用硅学建模和网络药理学,探讨了 Abrus precatorius L.化合物与各种癌症相关蛋白质之间的相互作用。通过生物信息学工具和数据库,确定了 27 种生物活性化合物,并对其理化性质进行了评估,确保符合药理学准则。研究预测了Abrus precatorius L.化合物的潜在蛋白质靶标,揭示了与453种蛋白质的相互作用,包括与癌症通路有关的蛋白质。利用 StringDB 和 DISEASES 数据库进行的进一步分析建立了蛋白质-蛋白质相互作用网络,突出了表皮生长因子受体和 TERT 等在多种癌症类型中起关键作用的关键蛋白质。这项研究验证了这些化合物符合利平斯基的 "五法则",表明它们具有药理活性和口服吸收的潜力。虚假发现率(FDR)分析证实了Abrus precatorius L.化合物与多种癌症之间的显著关联,进一步凸显了其治疗潜力。总之,Abrus precatorius L.化合物,尤其是靶向表皮生长因子受体(EGFR)和TERT蛋白的化合物,有望成为癌症治疗的候选药物。它们具有多种药理活性,并能与关键的癌症相关蛋白相互作用,这为进一步探索和开发这些化合物作为替代药物铺平了道路。需要进行体外和体内研究来验证它们的疗效,尤其是在应对不同癌症类型的复杂性方面。最终,这项研究为利用天然化合物抗击癌症提供了宝贵的见解,解决了全球医疗保健的关键需求。
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ANALISIS KETERKAITAN NETWORK PHAMACOLOGY SENYAWA METABOLIT SEKUNDER Abrus precatorius L. SECARA IN SILICO
Cancer remains a global health challenge, prompting extensive research efforts worldwide. Lung cancer, the second most diagnosed cancer, presents a particularly grim survival rate. In Indonesia, cancer incidence ranks significantly, with millions affected and hundreds of thousands succumbing to the disease annually. Traditional medicine persists as a preferred option among many, perceived as safer and more affordable. Abrus precatorius L., an ancient medicinal plant, holds promise in this regard, with a rich history of use and a diverse range of pharmacological activities, including anti-cancer properties. Employing in silico modeling and network pharmacology, this study explores the interaction between Abrus precatorius L. compounds and various proteins associated with cancer. Through bioinformatics tools and databases, 27 bioactive compounds are identified and their physicochemical properties assessed, ensuring adherence to pharmacological guidelines. The study predicts potential protein targets for Abrus precatorius L. compounds, revealing interactions with 453 proteins, including those implicated in cancer pathways. Further analysis using StringDB and DISEASES database establishes protein-protein interaction networks, highlighting key proteins like EGFR and TERT, pivotal in multiple cancer types. The study validates the compounds' adherence to Lipinski's Rule of Five, indicating their potential for pharmacological activity and oral absorption. False Discovery Rate (FDR) analysis confirms significant associations between Abrus precatorius L. compounds and various cancers, further underscoring their therapeutic potential. In conclusion, Abrus precatorius L. compounds, particularly targeting EGFR and TERT proteins, emerge as promising candidates for cancer treatment. Their diverse pharmacological activities and interactions with key cancer-related proteins pave the way for further exploration and development of these compounds as alternative medicinal agents. In vitro and in vivo studies are warranted to validate their efficacy, particularly in addressing the complexities of different cancer types. Ultimately, this research offers valuable insights into leveraging natural compounds for combating cancer, addressing a critical need in global healthcare.
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