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Research Article
An Interactive Human Carbonic Anhydrase-II (hCA-II) Receptor – Pharmacophore Molecular Model & Anti-Convulsant Activity of the Designed and Synthesized 5-Amino-1,3,4-Thiadiazole-2-Thiol Conjugated Imine Derivatives
Article first published online: 24 APR 2013
DOI: 10.1111/cbdd.12113
© 2013 John Wiley & Sons A/S
Additional Information
How to Cite
Yusuf, M., Khan, R. A., Khan, M. and Ahmed, B. (2013), An Interactive Human Carbonic Anhydrase-II (hCA-II) Receptor – Pharmacophore Molecular Model & Anti-Convulsant Activity of the Designed and Synthesized 5-Amino-1,3,4-Thiadiazole-2-Thiol Conjugated Imine Derivatives. Chemical Biology & Drug Design, 81: 666–673. doi: 10.1111/cbdd.12113
Publication History
- Issue published online: 24 APR 2013
- Article first published online: 24 APR 2013
- Accepted manuscript online: 30 JAN 2013 04:06AM EST
- Manuscript Accepted: 8 JAN 2013
- Manuscript Revised: 25 NOV 2012
- Manuscript Received: 30 SEP 2012
- Abstract
- Article
- References
- Cited By
Keywords:
- 5-amino-1,3,4-thiadiazole-2-thiol imines;
- anti-convulsant activity;
- human carbonic anhydrase-II;
- neurotoxicity test;
- pharmacophore model;
- receptor–ligand interaction
New imines, derived from aromatic aldehyde, chalcones and 5-amino-1,3,4-thiadiazole-2-thiol exhibited promising anti-convulsant activity which is explained through chemo-biological interactions at receptor site producing the inhibition of human Carbonic Anhydrase-II enzyme (hCA-II) through the proposed pharmacophore model at molecular levels as basis for pharmacological activity. The compounds 5-{1-(4-Chlorophenyl)-3-[4-(methoxy-phenyl)-prop-2-en-1-ylidene]amino}-1,3,4-thiadiazole-2-thiol (2b), 5-{[1-(4-chloro-phenyl)]-3-[4-(dimethyl-amino-phenyl)-prop-2-en-1-ylidene]amino}-1,3,4-thiadiazole-2-thiol (2c) and 5-{[1-(4-chloro-phenyl)]-3-[(4-amino-phenyl)-prop-2-en-1-ylidene]amino}-1,3,4-thiadiazole-2-thiol (2f) showed 100% activity in comparison with standard Acetazolamide, a known anti-convulsant drug. The compounds 2c, 2f also passed the Rotarod and Ethanol Potentiation tests which further confirmed them to be safe in motor coordination activity and safe from generating neurological toxicity.