Author(s): S.S. Tomar,Nadreen Banu, Kaleem Ahmad
The implications for the ability of quantum chemical descriptors of highest occupied molecular orbital energy, lowest unoccupied molecular orbital energy, electron affinity ionization potential absolute hardness, Softness , Chemical Potential Molar refractivity (MR), Molar Volume (MV)and Parachor (Pc) to describe the biological activities HIV-1 Protease (RP) Inhibitors of Cycloalkylpyranone derivatives are discussed. The relationships between observed biological activity, log1/C, and the quantum chemical descriptors are established. For this establishment various QSAR models have been developed. The parameter adopted in this calculation is the semi-empirical PM3 based. The QSAR model sixth provides a good arrangement between Obs log 1/c & predicted activity.