Drug Testing Laboratory, Interdisciplinary Institute of Indian System of Medicine (IIISM), SRM Institute of Science and Technology, Kattankulathur, Chennai, Tamil Nadu, India.
Clinical Trial Unit, Interdisciplinary Institute of Indian System of Medicine (IIISM), SRM Institute of Science and Technology, Kattankulathur, Chennai, Tamil Nadu, India.
Nat Prod Res. 2024 Jun;38(12):2091-2096. doi: 10.1080/14786419.2023.2232928. Epub 2023 Jul 12.
Polyphenols, the important secondary metabolites, consist of multiple phytochemicals and show numerous physiological effects. Flavones play a significant role in various chronic disorders such as diabetes.. In this study, all the flavones were encountered, and it was further filtered based on their drug-likeness properties and pharmacokinetic parameters. Existing literature confirms that flavone-based compounds are suitable as the drug of choice in sarcopenic obesity. A molecular docking study was performed toward the myostatin inhibition profile of the flavones using PDB:3HH2 as a target site. This computer-aided drug design helps select lead molecules in novel drug discovery.
多酚是一类重要的次生代谢产物,包含多种植物化学物质,具有多种生理作用。类黄酮在多种慢性疾病中发挥着重要作用,如糖尿病。在这项研究中,所有的类黄酮都被发现了,并且根据它们的药物相似性和药代动力学参数进一步进行了筛选。现有文献证实,基于类黄酮的化合物是治疗肌肉减少性肥胖的首选药物。使用 PDB:3HH2 作为靶点,对类黄酮的肌肉生长抑制素抑制特性进行了分子对接研究。这种计算机辅助药物设计有助于在新药发现中选择先导分子。