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Investigating the binding mechanism of piperidinyl ureas inhibitors based on the UBC12-DCN1 interaction by 3D-QSAR, molecular docking and molecular dynamics simulations

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Year: 2020
Type: article
Source: Journal of Biomolecular Structure and Dynamics
DOI: 10.1080/07391102.2020.1841678
Authors: Jiangheng Zhao, Jieying Zang, Jing Yang, Qi-Bing Gao, Ying Yan, Chaoya Ma, Yujie Chen, Lina Ding, Hong-Min Liu
Institution: Zhengzhou University
Language: English

Topic: Computational Drug Discovery Methods
Subfield: Drug Discovery
Field: Pharmacology, Toxicology and Pharmaceutics
Domain: Life Sciences
SDG: Good health and well-being

Open Access status: closed

Funder: National Natural Science Foundation of China
Awards: G617869439, 基于甾体的螺羟基吲哚衍生物小分子库的构建及其抗肿瘤活性评价, 胃癌细胞LSD1与EMT通路相关蛋白相互作用的机制及小分子抑制剂干预研究, G8130012984
OpenAlex ID: W3098513671
FWCI: 0.124
Cites: 26
Cited by: 4
Related to: 10
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