Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Suleyman Demirel University, Isparta, Turkey.
Department of Basic Biotechnology, Institute of Biotechnology, Ankara University, Ankara, Turkey.
Chem Biol Drug Des. 2019 Jan;93(1):12-20. doi: 10.1111/cbdd.13388. Epub 2018 Oct 8.
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.
同源建模是一种计算结构预测方法，可用于根据蛋白质的氨基酸序列确定其 3D 结构。它被认为是计算结构预测方法中最准确的方法之一。它由多个步骤组成，这些步骤简单易用。有许多工具和服务器可用于同源建模。没有一个单一的建模程序或服务器在各个方面都优于其他程序或服务器。由于模型的功能取决于生成的蛋白质 3D 结构的质量，因此最大限度地提高同源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。由于药物主要与由蛋白质组成的受体相互作用，因此蛋白质 3D 结构的确定，以及同源建模在药物发现中非常重要。因此，已经使用同源建模构建的蛋白质 3D 结构阐明了蛋白质相互作用。这有助于鉴定新的药物候选物。同源建模在使药物发现更快、更容易、更便宜和更实用方面发挥着重要作用。随着新的建模方法和组合的引入，其应用范围不断扩大。
