Hazarika Ridip, Parida Pratap, Neog Bijoy, Yadav Raj Narain Singh
Bioinformation. 2012;8(6):251-4. doi: 10.6026/97320630008251. Epub 2012 Mar 31.
Diabetes is one of the major life threatening diseases worldwide. It creates major health problems in urban India. Glycogen Synthase Kinase-3 (GSK-3) protein of human is known for phosphorylating and inactivating glycogen synthase which also acts as a negative regulator in the hormonal control of glucose homeostasis. In traditional medicine, Momordica charantia is used as antidiabetic plant because of its hypoglycemic effect. Hence to block the active site of the GSK-3 protein three anti-diabetic compounds namely, charantin, momordenol & momordicilin were taken from Momordica charantia for docking study and calculation of binding energy. The aim of present investigation is to find the binding energy of three major insulin-like active compounds against glycogen synthase kinase-3 (GSK-3), one of the key proteins involved in carbohydrate metabolism, with the help of molecular docking using ExomeTM Horizon suite. The study recorded minimum binding energy by momordicilin in comparison to the others.
糖尿病是全球主要的危及生命的疾病之一。它在印度城市造成了重大的健康问题。人类糖原合酶激酶-3（GSK-3）蛋白以磷酸化并使糖原合酶失活而闻名，糖原合酶在葡萄糖稳态的激素控制中也起负调节作用。在传统医学中，苦瓜因其降血糖作用而被用作抗糖尿病植物。因此，为了阻断GSK-3蛋白的活性位点，从苦瓜中提取了三种抗糖尿病化合物，即苦瓜素、苦瓜醇和苦瓜西林，用于对接研究和结合能计算。本研究的目的是借助ExomeTM Horizon套件进行分子对接，找出三种主要的胰岛素样活性化合物与糖原合酶激酶-3（GSK-3）的结合能，GSK-3是碳水化合物代谢中关键的蛋白质之一。该研究记录了苦瓜西林与其他化合物相比的最低结合能。
