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Structural insight into inhibition of REV7 protein interaction revealed by docking, molecular dynamics and MM/PBSA studies

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成果类型:
期刊论文
作者:
Ren, Xiaodong;Zeng, Rui*;Wang, Changwei;Zhang, Mingming;Liang, Chengyuan;...
通讯作者:
Zeng, Rui
作者机构:
[Ren, Xiaodong] Guizhou Prov Peoples Hosp, Dept Pharm, Guiyang 550002, Peoples R China.
[Ren, Xiaodong; Zeng, Rui] Southwest Univ Nationalities, Coll Pharm, Chengdu 610041, Peoples R China.
[Wang, Changwei] Chinese Acad Sci, GIBH, Guangzhou 510530, Guangdong, Peoples R China.
[Zhang, Mingming] Fudan Univ, Sch Pharm, Shanghai 201203, Peoples R China.
[Liang, Chengyuan] Shaanxi Univ Sci & Technol, Dept Pharm, Xian 710021, Peoples R China.
通讯机构:
[Zeng, Rui] S
Southwest Univ Nationalities, Coll Pharm, Chengdu 610041, Peoples R China.
语种:
英文
期刊:
RSC Advances
ISSN:
2046-2069
年:
2017
卷:
7
期:
44
页码:
27780-27786
基金类别:
Program of Study Abroad for Young Scholars - China Scholarship Council [CSC201500850007]; Sichuan Province Department of Basic Research Project [2015jy0009]; Key Technologies R & D Program of Sichuan [2014SZ0131]; National Natural Science Foundation of China [81602967]; China Postdoctoral Science Foundation [2016M592898XB]
机构署名:
本校为其他机构
院系归属:
生物科学技术学院
摘要:
In mammalian cells, DNA polymerase ζ (Pol ζ) catalyzes the TLS step of ICLR. By acting simultaneously with Y-family DNA polymerase, Pol ζ completes replication of damaged DNA without removing the damage by inserting a nucleotide opposite the lesion. It has been demonstrated that Pol ζ represents a promising target for the treatment of chemotherapy-resistant tumors. The first series of small-molecule inhibitors targeting REV7/REV3L interaction have been identified recently, however, their corresponding binding mechanism is not known. Herein,...

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