HIV-1 integrase pharmacophore model derived from diverse classes of inhibitors |
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Authors: | Mustata Gabriela Iurcu Brigo Alessandro Briggs James M |
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Institution: | Department of Biology and Biochemistry, University of Houston, Houston, TX 77204-5001, USA. |
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Abstract: | A three-dimensional pharmacophore model has been generated for HIV-1 integrase (HIV-1 IN) from known inhibitors. A dataset consisting of 26 inhibitors was selected on the basis of the information content of the structures and activity data as required by the catalyst/HypoGen program. Our model was able to predict the activity of other known HIV-1 IN inhibitors not included in the model generation, and can be further used to identify structurally diverse compounds with desired biological activity by virtual screening. |
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