HIV-1 integrase pharmacophore model derived from diverse classes of inhibitors.

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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@article{Mustata2004HIV1IP, title={HIV-1 integrase pharmacophore model derived from diverse classes of inhibitors.}, author={Gabriela Iurcu Mustata and Alessandro Brigo and James M. Briggs}, journal={Bioorganic & medicinal chemistry letters}, year={2004}, volume={14 6}, pages={1447-54} }