Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry


An exploratory quantum-chemical study of the anti-HIV-1 IIIB activity of a series of Etravirine-VRX-480773 hybrids

Author(s): Juan S. Gómez-Jeria and Martín Becerra-Ruiz

A study relating electronic/molecular structure with anti HIV-1 IIIB activity of a group of Etravirine-VRX-480773 hybrids was carried out. A statistically significant relationship was found (n=20, adj-R²= 0.88, F(5,14)= 29.943 (p<0.000001), SEE= of 0.19). The corresponding two-dimensional pharmacophore was built. From the analysis of the results we propose two new molecules for experimental testing.