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Homology modeling in drug discovery: Overview, current applications, and future perspectives
Chemical Biology & Drug Design ( IF 3.2 ) Pub Date : 2018-10-08 , DOI: 10.1111/cbdd.13388 Muhammed Tilahun Muhammed 1, 2 , Esin Aki-Yalcin 3
Chemical Biology & Drug Design ( IF 3.2 ) Pub Date : 2018-10-08 , DOI: 10.1111/cbdd.13388 Muhammed Tilahun Muhammed 1, 2 , Esin Aki-Yalcin 3
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Homology modeling is one of the computational structure prediction methods that are used to determine protein 3D structure from its amino acid sequence. It is considered to be the most accurate of the computational structure prediction methods. It consists of multiple steps that are straightforward and easy to apply. There are many tools and servers that are used for homology modeling. There is no single modeling program or server which is superior in every aspect to others. Since the functionality of the model depends on the quality of the generated protein 3D structure, maximizing the quality of homology modeling is crucial. Homology modeling has many applications in the drug discovery process. Since drugs interact with receptors that consist mainly of proteins, protein 3D structure determination, and thus homology modeling is important in drug discovery. Accordingly, there has been the clarification of protein interactions using 3D structures of proteins that are built with homology modeling. This contributes to the identification of novel drug candidates. Homology modeling plays an important role in making drug discovery faster, easier, cheaper, and more practical. As new modeling methods and combinations are introduced, the scope of its applications widens.
中文翻译：
药物发现中的同源建模：概述，当前应用和未来展望
同源性建模是用于从其氨基酸序列确定蛋白质3D结构的计算结构预测方法之一。它被认为是最准确的计算结构预测方法。它包含多个简单易行的步骤。有许多用于同源性建模的工具和服务器。没有哪个建模程序或服务器在各个方面都比其他方面优越。由于模型的功能取决于生成的蛋白质3D结构的质量，因此最大化同源性建模的质量至关重要。同源建模在药物发现过程中有许多应用。由于药物与主要由蛋白质组成的受体相互作用，因此蛋白质3D结构确定，因此同源性建模在药物发现中很重要。因此，已经阐明了使用通过同源性建模构建的蛋白质的3D结构来进行蛋白质相互作用。这有助于鉴定新的候选药物。同源性建模在使药物发现更快，更容易，更便宜和更实用方面起着重要作用。随着新的建模方法和组合的引入，其应用范围不断扩大。
更新日期：2018-10-08
中文翻译：
药物发现中的同源建模：概述，当前应用和未来展望
同源性建模是用于从其氨基酸序列确定蛋白质3D结构的计算结构预测方法之一。它被认为是最准确的计算结构预测方法。它包含多个简单易行的步骤。有许多用于同源性建模的工具和服务器。没有哪个建模程序或服务器在各个方面都比其他方面优越。由于模型的功能取决于生成的蛋白质3D结构的质量，因此最大化同源性建模的质量至关重要。同源建模在药物发现过程中有许多应用。由于药物与主要由蛋白质组成的受体相互作用，因此蛋白质3D结构确定，因此同源性建模在药物发现中很重要。因此，已经阐明了使用通过同源性建模构建的蛋白质的3D结构来进行蛋白质相互作用。这有助于鉴定新的候选药物。同源性建模在使药物发现更快，更容易，更便宜和更实用方面起着重要作用。随着新的建模方法和组合的引入，其应用范围不断扩大。
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