黄芪天然化合物靶向乳腺腺癌:分子对接及药代动力学研究。

Q4 Biochemistry, Genetics and Molecular Biology Critical Reviews in Oncogenesis Pub Date : 2025-01-01 DOI:10.1615/CritRevOncog.2024056639
Suraj Rajakumari, Pavithra Uppathi, Kallimakula Venkareddy Saritha
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引用次数: 0

摘要

根据世界卫生组织的报告,全世界有数百万妇女患有乳腺癌,这是一种常见且可能致命的疾病。基因突变通常会导致乳腺腺癌。只有5-10%的癌症是由随着年龄增长而发生的基因突变引起的,而85-90%的乳腺癌是由日常生活的“磨损”引起的。目前市场上获得fda批准的治疗方法并不多,但那些具有极端毒性和副作用的治疗方法限制了它们的使用。因此,必须使用替代药物来预防乳腺癌。Grangea maderaspatana植物具有多种天然化学物质,这些化学物质因其治疗特性而被选中。这些特性包括细胞毒性、抗痉挛、抗炎、镇静、抗胀气、解热、止泻、抗氧化、雌性激素和抗着床活性。自古典时代以来,整个植物一直被用于民间医学,以治疗各种疾病。然而,通过分子对接,我们评估了Grangea maderaspatana天然物质与乳腺腺癌受体(PDB-1M17)之间的相互作用。两种参考药物阿那曲唑和他莫昔芬被用来调查药物的相似性和可比性。化合物- (-)frulanolide已显示出与他莫昔芬和阿那曲唑一样的芳香酶抑制剂(雌激素阻滞剂)功效,用于治疗乳腺癌。鉴于其良好的药代动力学(ADMET)特性,这些物质中的大多数显示出有望作为乳腺腺癌的治疗候选者。这项研究的发现可能有助于开发新的、有效的乳腺癌治疗方案,有可能改善患者的治疗效果和生活水平。
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Targeting Breast Adenocarcinoma with Grangea maderaspatana Natural Compounds: A Molecular Docking and Pharmacokinetic Study.

Millions of women worldwide have breast cancer, a common and possibly fatal illness according to WHO Reports. A genetic mutation usually causes breast adenocarcinomas. Only 5-10% of cancers are induced by genetic mutations that develop with age, and the "wear and tear" of general life causes 85-90% of breast cancers. There are not many FDA-approved treatments available on the market right now, but those that have extreme toxicity and side effects restrict their use. Consequently, it is essential to use alternative medications to prevent breast cancer. The Grangea maderaspatana plant has a variety of natural chemicals that have been selected for their therapeutic characteristics. These properties include cytotoxicity, antispasmodic, anti-inflammatory, sedative, anti-flatulent, antipyretic, antidiarrheal, antioxidant, estrogenicity, and anti-implantation activity. The whole plant has been used in folk medicine since the classical era to treat an assortment of illnesses. However, using molecular docking, we evaluated the interactions between the natural substances of Grangea maderaspatana and the breast adenocarcinoma receptor (PDB-1M17). Two reference medications, anastrozole and tamoxifen, are utilized to investigate drug similarity and comparability. The compound - (-) Frullanolide has showed aromatase inhibitor (estrogen blocker) efficacy as tamoxifen and anastrozole, which is utilized in the treatment of breast cancer. Given their favorable pharmacokinetics (ADMET) characteristics, the majority of these substances show promise as therapeutic candidates for breast adenocarcinoma. The findings from this research could aid in the development of new and efficient treatment options for breast cancer, potentially improving patient outcomes and standards of living.

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来源期刊
Critical Reviews in Oncogenesis
Critical Reviews in Oncogenesis Biochemistry, Genetics and Molecular Biology-Cancer Research
CiteScore
1.70
自引率
0.00%
发文量
17
期刊介绍: The journal is dedicated to extensive reviews, minireviews, and special theme issues on topics of current interest in basic and patient-oriented cancer research. The study of systems biology of cancer with its potential for molecular level diagnostics and treatment implies competence across the sciences and an increasing necessity for cancer researchers to understand both the technology and medicine. The journal allows readers to adapt a better understanding of various fields of molecular oncology. We welcome articles on basic biological mechanisms relevant to cancer such as DNA repair, cell cycle, apoptosis, angiogenesis, tumor immunology, etc.
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