Abstract
The polarizable continuum model (PCM) analysis has been carried out on a third generation cephalosporin antibiotic, cefpodoxime acid (CA) in ten solvents with wide range of dielectric constant using the B3LYP method with 6-311++G (d,p) basis set. The present investigation is aimed to assess the solubility of the drug in these solvents and an attempt to predict the bioavailability of this commercially important drug. We report the electrostatic, dispersion, and repulsive interaction components of Gibb's free energy of solvation (∆Gsoln) of the antibiotic along with cavitation energies in ten solvents. The induced dipole moments of CA in these solvents are calculated and discussed in terms of physical properties of the solvents. The interaction energies of the systems are discussed in terms of dielectric constant, index of refraction and surface tension of the solvents. The free energy of solution of CA in aqueous environment is used to predict the bioavailability of the antibiotic.
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