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Hologram Quantitative Structure-Activity Relationships for a Class of Inhibitors of HIV-1 Protease

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HIV-specific protease inhibitors are fundamental antiviral drugs for people with HIV/AIDS. Hologram quantitative structure-activity relationships (HQSAR) were conducted on a class of 82 protease inhibitors. The final model obtained was used to predict the potency of 17 test set compounds. The predicted values were in good agreement with the experimental results.

Keywords: AIDS; Enzyme Inhibitors; HIV; HQSAR; QSAR

Document Type: Research Article


Publication date: July 1, 2007

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  • Letters in Drug Design & Discovery publishes original letters on all areas of rational drug design and discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, and structure-activity relationships. The emphasis will be on publishing quality papers very rapidly. Letters will be processed rapidly by taking full advantage of Internet technology for both the submission and review of manuscripts. The journal is essential reading to all pharmaceutical scientists involved in research in drug design and discovery.

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