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Author:

Xu Xian-Jin (Xu Xian-Jin.) | Su Ji-Guo (Su Ji-Guo.) | Liu Bin (Liu Bin.) | Li Chun-Hua (Li Chun-Hua.) | Tan Jian-Jun (Tan Jian-Jun.) | Zhang Xiao-Yi (Zhang Xiao-Yi.) | Chen Wei-Zu (Chen Wei-Zu.) | Wang Cun-Xin (Wang Cun-Xin.)

Indexed by:

Scopus SCIE PKU CSCD

Abstract:

Persistent organic pollutants (POPs) cause various diseases in both human and wildlife and have become a new global environmental problem. The toxic effects of POPs can be induced through their binding to specific proteins in the body. In the present work, a reverse virtual screening method based on molecular docking was used to search for potential protein targets for two POPs, 4,4'-dichlorodiphenyldichloroethane (4, 4'-DDD) and 2,2',4,4',5,5'-hexachlorobiphenyl (CB-153), from a protein structure database. Targets ranked in the top 5% were chosen for analysis using experimental information. All known targets appeared in the top 5% of targets. This study not only increases understanding of the toxic mechanism of POPs, but may also aid the design of novel recognition elements in biosensors.

Keyword:

Protein target Reverse virtual screening Biosensor Persistent organic pollutant

Author Community:

  • [ 1 ] [Xu Xian-Jin]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 2 ] [Liu Bin]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 3 ] [Li Chun-Hua]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 4 ] [Tan Jian-Jun]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 5 ] [Zhang Xiao-Yi]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 6 ] [Chen Wei-Zu]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 7 ] [Wang Cun-Xin]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China
  • [ 8 ] [Su Ji-Guo]Yanshan Univ, Coll Sci, Qinhuangdao 066004, Hebei Province, Peoples R China

Reprint Author's Address:

  • [Wang Cun-Xin]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China

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Source :

ACTA PHYSICO-CHIMICA SINICA

ISSN: 1000-6818

Year: 2013

Issue: 10

Volume: 29

Page: 2276-2285

1 0 . 9 0 0

JCR@2022

ESI Discipline: CHEMISTRY;

JCR Journal Grade:4

CAS Journal Grade:4

Cited Count:

WoS CC Cited Count: 1

SCOPUS Cited Count: 3

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 7

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