乳腺癌是诊断出的最常见的癌症类型之一,也是女性死亡的第二大原因。1型和2型乳腺癌易感蛋白是人类抑癌基因。这两个基因的遗传变异/突变导致人类乳腺肿瘤抑制基因的过表达(例如,BRCA1,BRCA2),这会引发人类细胞不受控制的复制。此外,多药耐药蛋白1(MDR1),一种重要的细胞膜蛋白,可以从细胞中抽出许多外来物质,也是对癌症化疗产生耐药性的原因。研究的目的。这项研究的目的是分析一些天然化合物或其衍生物,作为开发乳腺癌强抑制剂的一部分。方法论。使用文献中已知的对BRCA1和BRCA2和MDR1有效的化合物进行分子对接研究,阳性对照为5-氟尿嘧啶,作为阳性对照的抗肿瘤药物.
■分析了化合物的结合亲和力,并且观察到它们对靶蛋白具有比标准药物5-氟尿嘧啶更好的结合亲和力。在分析的化合物中,α-Hederin,穿心莲内酯,芹菜素,亚洲酸,耳穴酸,sinularin,姜黄素,citrinin,hispolon,nerol,植物醇,视黄醇棕榈酸酯,而香紫苏醇对BRCA1、BRCA2和MDR1蛋白表现出最佳的结合亲和力,分别。
■α-Hederin,穿心莲内酯,芹菜素,亚洲酸,耳穴酸,hispolon,巩膜,姜黄素,citrinin,和sinularin或其衍生物可以是乳腺癌抗癌药物的良好来源。
UNASSIGNED: Breast cancer is one of the most common types of cancer diagnosed and the second leading cause of death among women. Breast cancer susceptibility proteins of type 1 and 2 are human tumor suppressor genes. Genetic variations/mutations in these two genes lead to overexpression of human breast tumor suppressor genes (e.g., BRCA1, BRCA2), which triggers uncontrolled duplication of cells in humans. In addition, multidrug resistance protein 1 (MDR1), an important cell membrane protein that pumps many foreign substances from cells, is also responsible for developing resistance to cancer chemotherapy. Aim of the
Study. The aim of this
study was to analyze some natural compounds or their derivatives as part of the development of strong inhibitors for breast cancer. Methodology. Molecular docking studies were performed using compounds known in the literature to be effective against BRCA1 and BRCA2 and MDR1, with positive control being 5-fluorouracil, an antineoplastic drug as a positive control.
UNASSIGNED: The binding affinity of the compounds was analyzed, and it was observed that they had a better binding affinity for the target proteins than the standard drug 5-fluorouracil. Among the compounds analyzed, α-hederin, andrographolide, apigenin, asiatic acid, auricular acid, sinularin, curcumin,
citrinin, hispolon, nerol, phytol, retinol palmitate, and sclareol showed the best binding affinity energy to the BRCA1, BRCA2, and MDR1 proteins, respectively.
UNASSIGNED: α-Hederin, andrographolide, apigenin, asiatic acid, auricular acid, hispolon, sclareol, curcumin,
citrinin, and sinularin or their derivatives can be a good source of anticancer agents in breast cancer.