alexa TD-DFT And UV-visible Spectroscopic Investigation Of The Solute-solvent Interactions Of Efavirenz
ISSN: 2161-0444

Medicinal chemistry
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3rd International Conference on Medicinal Chemistry & Computer Aided Drug Designing
December 08-10, 2014 DoubleTree by Hilton Hotel San Francisco Airport, USA

Maryam Amra Jordaan, Parvesh Singh and Bice S Martincigh
Accepted Abstracts: Med Chem
DOI: 10.4172/2161-0444.S1.013
Efavirenz (EFV) commercially known as Sustiva? or Stocrin? is a first-line antiretroviral treatment for HIV/AIDS. It is categorized as class 2 on the biopharmaceutical classification system (BCS) and therefore has a low aqueous solubility but high lipophility and permeability. The low water solubility reduces oral bioavailability which subsequently leads to decreased efficacy. The objective of this study was to use UV-visible spectrophotometry and time-dependent density functional theory (TD-DFT) calculations to investigate the solute-solvent interactions of efavirenzin different solvents ranging from polar protic to non-polar solvents. The theoretical and experimental results are in agreement and an overview of the dispersion interactions is given for each solvent. The theoretical free energy of solvation has also been predicted to find the most suitable solvent with the best dispersion results as the biodistribution is dependent on the solubility of EFV in the blood. The results from this study will contribute to the formulation of EFV nanosuspensions for use in nanotechnology-based drug delivery system to increase bioavailability.
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