药理学相关蛋白靶点的计算机三维模型验证方法

Vestnik Volgogradskogo Gosudarstvennogo Universiteta Seria 11 Estestvennye Nauki Pub Date : 2018-08-01 DOI:10.15688/JVOLSU11.2018.1.16

L. Yanalieva, P. Vasilyev, A. Kochetkov

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引用次数: 0

摘要

本文以蛋白激酶C θ为例，研究了药理学相关靶蛋白的计算机三维模型的方法学发展和验证结果。利用IUPHAR / BPS数据库，发现了5种被世界科学界认可的参考抑制剂PRKCQ。根据接收到的数据，选择了3个最有效的PRKCQ模型(pdb -code: 5F9E, 2JED, 4RA5)，可用于对接新的抑制剂。

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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Methodology of Validation of In Silico 3D-Models of Pharmacologically Relevant Proteins-Targets

The article studies the development of methodology and results of validation of in silico 3D models of pharmacologically relevant target proteins on the example of protein kinase C theta. Using the IUPHAR / BPS database, information has been found about 5 reference inhibitors PRKCQ, recognized by the world scientific community. According to the received data, 3 most valid PRKCQ models (PDB-codes: 5F9E, 2JED, 4RA5) have been selected, which can later be used for docking of new inhibitors.

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