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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.
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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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