Natural Product Chemistry and Computer Aided Drug Design an Approach to Drug Discovery: A Review Article

S. Ugariogu
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引用次数: 2

Abstract

Natural products have been an inherent part of sustaining acculturation because of their medicinal properties. Past discoveries of bioactive natural products have relied on serendipity and accidental experience, and these compounds serve as inspiration for the generation of analogs with desired physicochemical properties. Bioactive natural products with therapeutic potential are abundantly available in nature and some of them are beyond exploration by conventional methods. However there has been a great breakthrough in the study of computer aided drug design (CADD) as many unfruitful lab researches have been averted and money, time and energies saved through CADD. Computer-aided drug design is a stimulating, arousing and manifold discipline where various aspects of applied and basic research integrate and induce each other. The empirical basis of CADD involves quantum mechanics and molecular modeling studies like structure based drug design; ligand-based drug design; database searching and binding affinity based on the knowledge of a biological target. In this present review we present the areas where natural product chemistry and CADD tools support drug discovery processes.
天然产物化学和计算机辅助药物设计——一种药物发现的方法
由于天然产品的药用特性,它们一直是维持文化适应的固有组成部分。过去生物活性天然产物的发现依赖于意外发现和偶然的经验,这些化合物为产生具有所需物理化学性质的类似物提供了灵感。具有治疗潜力的生物活性天然产物在自然界中大量存在,其中一些是传统方法无法探索的。然而,计算机辅助药物设计(CADD)的研究取得了很大的突破,避免了许多徒劳的实验室研究,节省了金钱、时间和精力。计算机辅助药物设计是一门应用研究与基础研究相结合、相互促进的学科。CADD的经验基础包括量子力学和分子模型研究,如基于结构的药物设计;配体药物设计;基于生物靶标知识的数据库搜索和绑定亲和力。在本综述中,我们介绍了天然产物化学和CADD工具支持药物发现过程的领域。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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