Advances in molecular modeling and docking as a tool for modern drug discovery

Ahmad F. Eweas; Ibrahim A. Maghrabi; Ali Ibrahim Namarneh

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Advances in molecular modeling and docking as a tool for modern drug discovery

机译：分子建模和对接技术的进步，作为现代药物发现的工具

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The field of computer aided drug design and discovery (CADDD) is a rapidly growing area that have seen many successes in the last few years. Many giant pharmaceutical companies, in addition to academia, adopt CADDD for drug lead discovery. The explosion of structural informatics, genomics and proteomic plays a major role in leading the efforts towards modern era drug discovery and development. This review discusses the recent advances in two of the major vehicles of CADDD, Molecular modeling and docking and some of the success stories accomplished by both academia and pharmaceutical industry using molecular modeling and docking towards discovery of new drug leads.

机译：计算机辅助药物设计和发现（CADDD）领域是一个快速发展的领域，最近几年取得了许多成功。除学术界外，许多大型制药公司还采用CADDD进行药物铅发现。结构信息学，基因组学和蛋白质组学的爆炸式增长在领导朝着现代药物发现和开发的努力中起着重要作用。这篇综述讨论了CADDD的两个主要工具的最新进展，即分子建模和对接，以及学术界和制药业使用分子建模和对接来发现新的药物线索所取得的一些成功案例。

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《Der Pharma Chemica: journal for medicinal chemistry, pharmaceutical chemistry and computational chemistry》 |2014年第6期|共18页
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Ahmad F. Eweas; Ibrahim A. Maghrabi; Ali Ibrahim Namarneh;
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Advances in molecular modeling and docking as a tool for modern drug discovery

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