The electrostatic potential map paints the value of the electrostatic potential onto an electron density surface to get a description of the electrostatic characteristics of target drug [1]. By convention, colours toward red depict negative potential, while colours toward blue depict positive potential and colours between depict intermediate values of the potential. Thus, this drug has both, negative and positive well defined regions, which increase the interaction possibilities from the electrostatic point of view. Thus, especially when H-bonding (electrostatic in nature) is involved, the calculation of the electrostatic surfaces can be very useful to visualize the sites of interaction in both hosts and guests to predict their affinities [2]. Analysis of qualitative data obtained by EP calculations also provides useful information for explaining the differential ability of molecular analogs to act with a common receptor. In the present work, electrostatic potential maps were constructed for candidate drug to analyze the characteristics of the electrostatic potential.
Refrences:
1. Abbott N J; (2005), International Congress Series; 1277, 3-18.
2. Hua Gao, V. Shanmugasundaram and Pil Lee, (2002), Pharmaceutical Research; 19(4), 497-503.
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