Estimation of chemical shift of sulfonamide using Balaban Indices
Author Affiliations
- 1Shri Vaishnav Vidhyapeeth University, Indore, India
Res.J.chem.sci., Volume 7, Issue (9), Pages 45-48, September,18 (2017)
Abstract
The paper describes the estimation of chemical shifts in NMR using Balaban, Balaban type Indices. The statistically significant models are governed by a variety of statistical parameter.
References
- Khadikar P.V., Sharma V. and Verma R.G. (2005)., Novel estimation of lipophilicity using 13C NMR chemical shifts as molecular descriptor., Bioorg. Med. Chem. Lett., 15(2), 421-425.
- Thakur A., Thakur M., Khadikar P.V., Supuran C.T. and Sudele P. (2004)., QSAR study on Benzene sulphonamide Carbonic Anhydrase Inhibitors. Topological Approach using Balaban Index., Bioorg.Med. Chem., 12(4), 789-793.
- Balaban A.T., Khadikar P.V., Supuran C.T., Thakur A. and Thakur M. (2005)., Study on Supramolecular complexing ability vis a vis estimation of IPka of substituted sulfonamides Dominating Role of Balaban Index (J)., Bioorg. Med. Chem. Letters, 15(17), 3966-3973.
- Mincione F.J., Menabuoni L. and Sepuran C.T. (2004)., Clinical applications of the carbonic anhydrase inhibitors in ophthalmology., Carbonic anhydrase, its inhibitors and activators, Supuran, C.T.; Scozzafava, A.j Conway, J. Eds. CRC Press, Boca Raton (FL), 243-254.
- Sagore N.S., Sikarwar A. and Khadikar P.V. (2001)., QSAR Modeling of Salicylhydroxamic Acid Derivatives using Balban Index (J)., Oxid. Commun., 24, 28-27.
- Khadikar P.V., Sharam S., Sharma V., Joshi S., Lukovits I. and Kaveshwar M. (1997)., A QSAR study on the effect of Benzohydro oxamic Acid on DNA synthesis., Bull Soc. Chem. Belg., 106(12), 767-772.
- Khadikar P.V., Lakhwani M. and Thakur P. (2006)., Computational Modeling of the carbonic anhydrase inhibition using C-13 NMR., Presented a research paper the 7th international conference on the carbonic anhydrase at university of Florida St. Augustine, October.
- Hansch C. and Yoshimoto M. (1974)., Structure-activity relations in immunochemistry. 2. Inhibition of complement by benzamidines., J: Med. Chem., 17(11), 1160-1167.
- Dragon (2010)., Dipartimento di Scienze dell’Ambiente e della Terra., http:// disat. Unimib. It./chem./dragon.com
- ACD labs (2010)., Stairway to heaven., http://www.acdlabs.com
- Agrawal P. (2015)., NMR Spectroscopy in Drug discovery and development., Labome, 1-8. ISSN – 2329-5139
- Anbazhagan R. and Sankaran K.R. (2015)., Design, Synthesis computational calculation and biological eraluation of some novel 2-thiazolyl hydrozone., Spectochimia, Act, Molecule & Biomolecular spectroscopy, 135, 984-993.
- Upadhyay Navneeta, Khadikar Padmakar V., Sharma Asmita and Upadhyay Apoorva (2010)., Modeling of toxicity of heterogeneous set of compounds using sterimol and structural parameters., J. Indian Chem. Soc., 87(12), 1551-1561.
- Sharma Asmita, Sharm V., Khadikar P.V. and Phadnis A. (2010)., Estimation of 13C NMR Chemical Shift of Carbinol Carbon Atoms by QSPR Studies., Oxidation Communication, 33(4), 782-792.
- Sharma Asmita and Upadhyay Navneeta (2011)., Estimation of Chemical Shift in NMR and their use in modeling carbonic anhydrase inhibition., Journal of Engineering, Science & Mgt. Education, 4(2), 618-621.