R Aarthi1, S Ramalingam2* and S Periandy2
1Ph.D Scholar, Department of Physics, A.V.C. College, Mayiladuthurai, Tamilnadu, India
2Department of Physics, A.V.C. College, Mayiladuthurai, Tamilnadu, India
3Department of Physics, Kanchi Mamunivar Centre for PG studies, Puducherry, India
*Corresponding Author: S Ramalingam, Department of Physics, A.V.C. College, Mayiladuthurai, Tamilnadu, India.
Received: December 27, 2017; Published: January 11, 2018
Citation: S Ramalingam., et al. “Molecular Spectroscopy Investigation on Pharmacodynamic Activity and Biological Property Analysis on Anti-Mycobacterial Drug; 4-Amino Salicylic Acid Using Computational Tools”. Acta Scientific Pharmaceutical Sciences 2.1 (2018).
The Pharmacodynamic activity was keenly observed by recording FT-IR, FT-Raman, UV-Visible and NMR spectra of 4-Aminosalicylic acid. The observed absorption and scattering spectral sequence were analyzed to predict the role of compositional parts in the compound activity. The unknown physico-chemical properties were calculated and were correlated with the physical parameters. The drug activity of the compound was predicted by observing frontier molecular interaction profile. The electronic transitions among different energy levels of electronic structure were determined and hyperactive Polarizability causing the anti-micro bacterial activity was discussed. The exchange of chemical potential for creating drug potential by making transitions among non-bonding molecular orbitals has been examined. The QSAR properties were calculated and Lipinski’s rules for drug likeness were reported and discussed to recognize the biological activity of the molecule. The VCD spectrum in different range of IR region for determining enantiomer ability was replicated at stable conformer and the hiding of toxicity was predicted.
Keywords: 4-Aminosalicylic Acid; Physico-Chemical; Hyperactive Polarizability; QSAR Properties; Lipinski’s Rules; VCD Spectrum
Copyright: © 2018 S Ramalingam., et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.