黄酮类化合物对糖尿病细胞因子白介素12的相互作用亲和力

MM. Riyaniarti Estri Wuryandari, Ninis Yuliati, Ekawati Sutikno, Saad A Mohamed
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引用次数: 0

摘要

背景:白细胞介素12能破坏产生胰岛素的细胞,抑制il - 4的产生,并能刺激Thelper1的形成。槲皮素是一种适合作为开发安全的抗糖尿病药物先导化合物的类黄酮,因为槲皮素除了具有抗糖尿病作用外,还具有胰腺轨道的保护作用。目的:研究某些类黄酮的对接模型,预测槲皮素和三萜衍生物对白细胞介素12的抑制活性。方法:采用带有Autodock Vina菜单的PyRx程序进行分子对接。结果:IL-12与右旋甲氧基烯的亲和能最高为-7 kcal/mol,最低为-6.1 kcal/mol; IL-12与槲皮素的亲和能最高为-9 kcal/mol,最低为-7.8kcal/mol。结论:槲皮素具有氢键和疏水键,其中槲皮素化合物的配体是能够与IL-12受体形成最佳相互作用和结合的配体(4OG9)。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Interaction Affinity Between Flavonoids Against Cytokines Interleukin 12 in Diabetes Mellitus
Background: Interleukin 12 can destroy insulin-producing cells, suppresses IL4 production, and can stimulate the formation of Thelper1. Quercetin is a flavonoid suitable to be chosen as the lead compound for development of safe anti-diabetic agent because in addition to its anti-diabetic effect, quercetin shows also protective effect in pancreas track.Objective: This research aims to study the docking models of certain flavonoids and to predict the quercetin and triterpene derivatives inhibition activity on Interleukin12.Method: The molecular docking method was used using the PyRx program with the Autodock Vina menu.Results: IL-12 bond affinity with Dextromethoorpene results -7 kcal/mol as the highest affinity value energy while the lowest energy is -6.1 kcal/mol, IL-12 bond affinity value with Quercetin with the highest affinity value energy is -9 kcal/mol, and the lowest energy is -7.8kcal/mol. The affinity value IL-12 bond and triterpene with the highest affinity value is energy -7 .9 kcal/mol, and the lowest energy is -7.4 kcal/molConclusion: Quercetin, has hydrogen bonds and hydrophobic bonds, where the ligand of the Quercetin compound is the ligand that has the ability to form the best interactions and bonds with IL-12 receptors (4OG9)
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