Comparative molecular field analysis of benzothiazepine derivatives: mitochondrial sodium calcium exchange inhibitors as antidiabetic agents.

Abstract:

:Mitochondrial sodium calcium exchange inhibitors are novel agents in the treatment of type-II diabetes due to their glucose dependent efficacy. While the compounds of this class are expected to correct hyperglycemia, they do not lower basal blood glucose level, thus avoiding the serious consequences of hypoglycemia. The 3DQSAR analysis of benzothiazepines and their derivatives as mitochondrial sodium calcium exchange inhibitors was performed by comparative molecular field analysis to determine the structural factors required for the activity of these compounds. After performing a leave one out cross validation study, satisfactory results were obtained, with cross-validated q(2) and conventional r(2) values of 0.711 and 0.970, respectively. The results provided the tools for predicting the affinity of the related compounds, and guidance for the designing and synthesis of novel and potent mitochondrial sodium calcium exchange inhibitors as antidiabetic agents.

journal_name

Indian J Pharm Sci

authors

Dasoondi AS,Singh V,Voleti SR,Tiwari M

doi

10.4103/0250-474X.41453

subject

Has Abstract

pub_date

2008-03-01 00:00:00

pages

186-92

issue

2

eissn

0250-474X

issn

1998-3743

journal_volume

70

pub_type

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