{"title":"红毛丹果实中2-氨基甲酸酯-9-[β - d -核呋喃基]次黄嘌呤作为凋亡蛋白的潜在抑制剂:硅分子对接方法","authors":"Angalammal P, S. K, R. S., S. K.","doi":"10.55126/ijzab.2022.v07.i06.sp002","DOIUrl":null,"url":null,"abstract":"The fruit of the rambutan tree, Nephelium lappaceum, is an important source of physiologically active substances that have the ability to induce apoptosis. Because of this, the goal of the current work was to anticipate how the GC-MS spectrum compound from Nephelium lappaceum (2-Carbamyl-9-[Beta-D-Ribofuranosyl] Hypoxanthine]) would interact with apoptotic proteins (Caspase-3, Caspase-9, -Actin, p53, and Bcl-2) using the PatchDock docking program. As a result of the Lipinski rule, 2-Carbamyl-9-[Beta-D-Ribofuranosyl] Hypoxanthine is recommended as the best cancer treatment. The use of a molecule as a potential natural medicinal agent to treat disease is demonstrated through docking studies.","PeriodicalId":124652,"journal":{"name":"International Journal of Zoology and Applied Biosciences","volume":"37 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"2022-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"2-Carbamyl-9-[Beta-D-Ribofuranosyl] hypoxanthine from Rambutan fruit as potential inhibitor of apoptotic proteins:In silico molecular docking approach\",\"authors\":\"Angalammal P, S. K, R. S., S. K.\",\"doi\":\"10.55126/ijzab.2022.v07.i06.sp002\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The fruit of the rambutan tree, Nephelium lappaceum, is an important source of physiologically active substances that have the ability to induce apoptosis. Because of this, the goal of the current work was to anticipate how the GC-MS spectrum compound from Nephelium lappaceum (2-Carbamyl-9-[Beta-D-Ribofuranosyl] Hypoxanthine]) would interact with apoptotic proteins (Caspase-3, Caspase-9, -Actin, p53, and Bcl-2) using the PatchDock docking program. As a result of the Lipinski rule, 2-Carbamyl-9-[Beta-D-Ribofuranosyl] Hypoxanthine is recommended as the best cancer treatment. The use of a molecule as a potential natural medicinal agent to treat disease is demonstrated through docking studies.\",\"PeriodicalId\":124652,\"journal\":{\"name\":\"International Journal of Zoology and Applied Biosciences\",\"volume\":\"37 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2022-11-07\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Journal of Zoology and Applied Biosciences\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.55126/ijzab.2022.v07.i06.sp002\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Zoology and Applied Biosciences","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.55126/ijzab.2022.v07.i06.sp002","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
红毛丹树的果实Nephelium lappaceum是具有诱导细胞凋亡能力的生理活性物质的重要来源。因此,当前工作的目标是使用PatchDock对接程序预测来自Nephelium lappaceum的GC-MS谱化合物(2-Carbamyl-9-[β - d -核糖呋喃基]次黄嘌呤])如何与凋亡蛋白(Caspase-3, Caspase-9, - actin, p53和Bcl-2)相互作用。根据利平斯基规则,2-氨基甲酸乙酯-9-[β - d -核糖呋喃基]次黄嘌呤被推荐为最好的癌症治疗方法。通过对接研究,证明了一种分子作为潜在的天然药物治疗疾病的用途。
2-Carbamyl-9-[Beta-D-Ribofuranosyl] hypoxanthine from Rambutan fruit as potential inhibitor of apoptotic proteins:In silico molecular docking approach
The fruit of the rambutan tree, Nephelium lappaceum, is an important source of physiologically active substances that have the ability to induce apoptosis. Because of this, the goal of the current work was to anticipate how the GC-MS spectrum compound from Nephelium lappaceum (2-Carbamyl-9-[Beta-D-Ribofuranosyl] Hypoxanthine]) would interact with apoptotic proteins (Caspase-3, Caspase-9, -Actin, p53, and Bcl-2) using the PatchDock docking program. As a result of the Lipinski rule, 2-Carbamyl-9-[Beta-D-Ribofuranosyl] Hypoxanthine is recommended as the best cancer treatment. The use of a molecule as a potential natural medicinal agent to treat disease is demonstrated through docking studies.