Abstract.
Molecular graphics and modeling methods illustrated the chemical background of the a priori approach from part I, and visualized steric and electronic enzyme- inhibitor relationships at qualitative and quantitative level for 34 and its derivatives. The enzyme-inhibitor electron density overlap occurs at 1.5-5.5 Å cut-off-distance, beyond van der Waals radii. Derivatives of 34 exhibit linear relationships between biological activity, molecular size and number of intermolecular interactions.

Keywords.
A priori molecular descriptors; Quantitative molecular graphics; A priori and quantitative molecular modeling; HIV-1 protease inhibitors; Partial least Squares

Keywords Plus.