Energy Optimization and QSAR Properties of Thiazolidine-2,4-dione and its Analogues | ||
| Journal of Pharmaceutical and Applied Chemistry | ||
| Volume 2, Issue 3, September 2016, Pages 10-21 PDF (1.09 M) | ||
| Document Type: Original Article | ||
| DOI: 10.18576/jpac/020302 | ||
| Authors | ||
| Prashant Singh1; Mohd. Athar2; Kamlesh Kumari3; Anju Katyal4; Ramesh Chandra5 | ||
| 1Department of Chemistry, A.R.S.D. College, University of Delhi, Delhi, India. | ||
| 2CCG @CUG Group, school of Chemical Sciences, Central University of Gujarat, Gujarat, India | ||
| 3Department of Zoology, DDU College, University of Delhi, Delhi, India | ||
| 4ACBR, Delhi University, Delhi, India | ||
| 5Department of Chemistry, Delhi University, Delhi, India. | ||
| Abstract | ||
| Hyperchem 7.5 is one of the used and authentic molecular modeling software for constructing molecular structures, computing their optimum geometries etc. It characterizes and predicts the structure and stability of chemical systems. It also calculates dipole moment, charge density, spin density, electrostatic potential, heats of hydration etc. In the present study, optimization of thiazolidine-2,4-diones and their QSAR properties were determined like hydrophobic character of the drug, surface area, volume etc. using AM1 semi empirical calculations. We have determined the log P of thiazolidine-2,4-diones to find their hydrophobicity because more the value of log P, more will be the hydrophobic character means less polarization depends on nature of substituents. | ||
| Keywords | ||
| Thiazolidine-2; 4-diones; SAR; charge density; hydrophobicity; antidiabetic | ||
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