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

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.