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首页> 外文期刊>European Journal of Medicinal Chemistry: Chimie Therapeutique >Structural aspects of flavonoids as trypsin inhibitors.
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Structural aspects of flavonoids as trypsin inhibitors.

机译：类黄酮作为胰蛋白酶抑制剂的结构方面。

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摘要

In the search for new proteinase inhibitors we have focused on the screening and Computer Assisted Drug Design (CADD) studies of polyphenolic compounds. In this paper we report CADD of flavonoles and flavones as trypsin inhibitors concomitant by the screening results. 5,7-Dihydroxy flavonoid have been found to be a perspective trypsin/trypsin-like-enzyme inhibitor. Flavanones and isoflavones are less effective trypsin inhibitors due to a lost of the optimal geometry leading to hydrogen bond interactions. Four different interaction modes were observed, flavonoids are stabilised in S(1) region of beta-trypsin by formation of two (apigenin) or at least one hydrogen bond and other significant electrostatic interactions. Quercetin, myricetin and morin have shown to be the best trypsin inhibitors tested. In general, flavonoids with suitably located hydroxy groups and planar conformation are the building blocks able to replace guanidinobenzoyl part of successful inhibitors. Physiological nature of flavonoids reveals biotechnological source of new trypsin inhibitors as antipancreatitis, anticancer and anti-inflammation drugs.
机译：在寻找新的蛋白酶抑制剂时，我们专注于多酚化合物的筛选和计算机辅助药物设计（CADD）研究。在本文中，我们通过筛选结果报告了黄酮类和黄酮类作为胰蛋白酶抑制剂的CADD。已经发现5，7-二羟基类黄酮是一种胰蛋白酶/类胰蛋白酶的酶抑制剂。由于失去了导致氢键相互作用的最佳几何构型，黄酮类和异黄酮类的胰蛋白酶抑制剂效果较差。观察到四种不同的相互作用模式，类黄酮通过形成两个（芹菜素）或至少一个氢键以及其他重要的静电相互作用而稳定在β-胰蛋白酶的S（1）区域中。槲皮素，杨梅素和香豆素已被证明是测试过的最佳胰蛋白酶抑制剂。通常，具有适当定位的羟基和平面构象的类黄酮是能够取代成功抑制剂的胍基苯甲酰基部分的构件。黄酮类化合物的生理性质揭示了新胰蛋白酶抑制剂作为抗胰腺炎，抗癌和抗炎药的生物技术来源。

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