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Publications (2)0.65 Total impact

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    ABSTRACT: The present paper discusses QSAR studies on antimalarial 2,4-diamino-6-quinazoline sulfonamide derivatives using electronic parameters, namely energy of highest occupied molecular orbitals (EH), energy of lowest unoccupied molecular orbitals (EL) and charge density (CD). The results have shown that better results are obtained by introducing dummy parameters (indicator parameter), Ip. Excellent results are obtained when all the four parameters (EH, EL, CD and Ip) are used in correlation analysis.
    Acta Microbiologica et Immunologica Hungarica 02/2001; 48(1):17-26. · 0.65 Impact Factor
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    ABSTRACT: QSAR study on a series of 2-phenyl-4-quinoline carbinolamine antimalarials was performed using electronic parameters to correlate the electronic features with antimalarial activities. The electronic parameters used were energy of the highest occupied molecular orbitals (EH), energy of the lowest unoccupied molecular orbitals (EL), the total pi-electron energy (ET) and charge density (CD). The results have shown that the antimalarial potential can be modeled by these parameters. The study will aid in efficient designing of this class of antimalarial agents.
    Polish journal of pharmacology 01/1999; 51(6):517-23.