Teuku Husni T R, Darmawi Darmawi, Azwar Azwar, Jamil Kurnia Fitri
Graduate School of Mathematics and Applied Sciences, Banda Aceh, Indonesia.
Laboratory of Microbiology, Faculty of Veterinary Medicine, Banda Aceh, Indonesia.
J Adv Pharm Technol Res. 2023 Jan-Mar;14(1):29-33. doi: 10.4103/japtr.japtr_520_22. Epub 2023 Jan 20.
is an invasive plant with a broad spectrum of medicinal properties, including wound healing. This study aimed to evaluate the interaction of the already identified bioactive phytoconstituents from ethanolic extracts of leaves with two angiogenesis-related proteins - vascular endothelial growth factor (VEGF) and cyclooxygenase-2 (COX-2) . A molecular docking protocol was performed on AutoDock Vina employing the molecular structure of VEGF (3HNG) and COX-2 (3LN1) downloaded from the Protein Data Bank. The results reveal that most of the phytoconstituents possess strong binding affinity, where β-tocopherol and squalene have the highest values. In conclusion, it is highly possible that the phytoconstituents of from the ethanolic leaf extract perform an interaction with VEGF and COX-2 and affect their activities.
是一种具有广泛药用特性的入侵植物，包括伤口愈合。本研究旨在评估从[植物名称]叶乙醇提取物中已鉴定的生物活性植物成分与两种血管生成相关蛋白——血管内皮生长因子（VEGF）和环氧合酶-2（COX-2）之间的相互作用。使用从蛋白质数据库下载的VEGF（3HNG）和COX-2（3LN1）的分子结构，在AutoDock Vina上进行了分子对接实验。结果表明，大多数植物成分具有很强的结合亲和力，其中β-生育酚和角鲨烯的值最高。总之，[植物名称]叶乙醇提取物中的植物成分极有可能与VEGF和COX-2发生相互作用并影响它们的活性。
