In silico study on the carbonic anhydrase activators : Activation of the human transmembrane isozyme XIV useful in Alzheimer's disease with amino acids and amines

QSAR & Cheminformatics Laboratory, Department of Chemistry, Bareilly College, Bareilly-243 001,

Uttar Pradesh, India

E-mail : shalinisingh_15@yahoo.com

Manuscript received 22 September 2016, revised 20 February 2017, accepted 21 February 2017

The quantitative structure activity relationships (QSAR) analysis on the activation of the human secretary isoform of the hCA XIV including a series of natural and non-natural amino acids and aromatic/heterocyclic amines are obtained. A heuristic algorithm is chosen as the best MLR equation in relation between the observed and the estimated values that is excellent (Se = 0.3121, r² = 0.8759, F = 24.6933, r²_cv = 0.7835). The effort is to search the structural aspects of bioactive molecules.