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作者:

Zhang, Xiao-Yi (Zhang, Xiao-Yi.) | Liu, Bin (Liu, Bin.) | Wang, Cun-Xin (Wang, Cun-Xin.)

收录:

CPCI-S

摘要:

HIV-1 integrase ( IN) is an essential enzyme for HIV-1 replication, so it can also be regarded as an attractive target for finding new drugs, but still no drug of anti - IN come into market. Up to now, most of anti - HIV drugs can make the virus drug resistant. New drug discovery is important to Highly Active Anti - Retroviral Therapy (HAART). Pharmacophore is a powerful tool for new drug discovery and design. At present, there are some studies on DKA Pharmacophores, but all have shortcomings. This study derived Pharmacophore based on five IN - DKA complexes, not only used X - ray structure. Then the mode was refined by an effective binding model generated by comparing drug resistance mutant complexes with wild - type IN complex. It made the pharmacophore more reasonable and effective. The refined model can be used to identify novel inhibitors.

关键词:

DKAs drug resistance mutants HIV integrase pharmacophore

作者机构:

  • [ 1 ] [Zhang, Xiao-Yi]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100022, Peoples R China
  • [ 2 ] [Liu, Bin]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100022, Peoples R China
  • [ 3 ] [Wang, Cun-Xin]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100022, Peoples R China

通讯作者信息:

  • [Wang, Cun-Xin]Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100022, Peoples R China

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来源 :

PROGRESS ON POST-GENOME TECHNOLOGIES

年份: 2007

页码: 202-204

语种: 英文

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