Authors : V. H. Masanda*, D. T. Mahajana, S. A. Quazia, T. B. Haddab,
Page Nos : 811-821
Description :
3D-QSAR analysis using BiS/MC (Biological Substrate/Multi-Conformational) algorithm has been performed in the present work to explore anti-malarial activity of synthetic prodiginines along with the modelling of the characteristics features of the receptor site. Using the novel approach implemented in the BiS/MC, it has been observed that lipophilic and electrostatic are prominent interactions between the prodiginines and the receptor site. BiS/MC builds statistically sound 3D-QSAR model to construct pseudo-receptor site. The analysis of the generalized self-consistent complementary field constructed within BiS/MC approach reveals introduction of H-bonding capable groups on side chain and lipophilic groups on pyrrole ring B could result in enhancement of anti-malarial activity of prodiginines.
