2D-QSAR Study of Indolylpyrimidines Derivative as Antibacterial againstPseudomonas aeruginosaandStaphylococcus aureus: A Comparative Approach

Prasanna A. Datar
2014 Journal of Computational Medicine  
A set of 15 indolylpyrimidine derivatives with their antibacterial activities in terms of minimum inhibitory concentration against the gram-negative bacteriaPseudomonas aeruginosaand gram-positiveStaphylococcus aureuswere selected for 2D quantitative structure activity relationship (QSAR) analysis. QSAR was performed using a combination of various descriptors such as steric, electronic and topological. Stepwise regression method was used to derive the most significant QSAR equation for
more » ... g the inhibitory activity of this class of molecules. The best QSAR model was further validated by a leave one out technique as well as by the random trials. A high correlation between experimental and predicted inhibitory values was observed. A comparative picture of behavior of indolylpyrimidines against both of the microorganisms is discussed.
doi:10.1155/2014/765457 fatcat:gsahs4pkmzgkffnqi2irmfdbhy