O-Vanillin and Some of its Novel Schiff Bases: A Cheminformatic Approach to Identify their Biological FunctionsJoseph VA1,2#, Georrge JJ3#, Pandya JH4 and Jadeja RN1*
- *Corresponding Author:
- Jadeja RN
Department of Chemistry
Faculty of Science The MS University of Baroda
Vadodara Gujarat, India
E-mail: [email protected]
Received date: November 09, 2015; Accepted date: November 18, 2015; Published date: November 25, 2015
Citation: Joseph VA, Georrge JJ, Pandya JH, Jadeja RN (2015) O-Vanillin and Some of its Novel Schiff Bases: A Cheminformatic Approach to Identify their Biological Functions. J Theor Comput Sci 2:136. doi:10.4172/2376-130X.1000136
Copyright: © 2015 Joseph VA, 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.
Ortho-Vanillin (2-Hydroxy-3-methoxybenzaldehyde) is an organic solid present in the extracts and essential oils of many plants. Its functional groups include aldehyde, ether and phenol. Recent years, most ortho-vanillin is used in the study of mutagenesis and as a synthetic precursor for pharmaceuticals. The current study is focused on the prediction of biological target through target fishing approach for the novel o- vanillin and some of their Schiff bases which are synthesized by our group. Various tools and databases were employed to identify the biological function of the synthesized O-vanillin derivatives, the obtained results were confirmed through docking and molecular dynamics simulation studies.