Drug-Receptor Interaction of Peptidic HIV-1 Protease: Polar Effect-II

Klopman described the chemical reaction of metal ions and base in term softness, E‡n E‡m, respectively. By simple modification known methods, Singh et al. made it applicable for neutral Lewis acids (transition salts) bases (organic molecules) also extended its application to biological systems site selectivity explain mechanism (markovnikov anti-markovnikov rule), ligand-receptor interaction testosterones, estrogens tetrahydroimidazobenzodiazepinone. In this study effective atomic softness E‡n(eff) E‡m(eff), their change ΔE‡nm have been used polar between 51 peptidic HIV-1 protease inhibitors receptor amino acids. values derived from drug-receptor show that when one moiety on behaves as nucleophile (O valine acid) at same time maximum electrophilic drug (C-atom value) orient itself come close respective make interaction, while another (C isoleucine acid), nucleophilic (O-atom E‡m(eff) interaction.