A Quantitative Structure-Activity Relationship and Molecular Modeling Study on a Series of Biaryl Imidazole Derivatives Acting as H+K+-ATPase Inhibitors
Joint Authors
Gupta, Satya P.
Agarwal, Neeraj
Bajpai, Anubha
Srivastava, Vivek
Source
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-11, 11 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2013-02-14
Country of Publication
Egypt
No. of Pages
11
Main Subjects
Natural & Life Sciences (Multidisciplinary)
Abstract EN
The H+/K+-ATPase or proton pump is a magnesium-dependant enzyme which causes the exchange of a proton against a potassium ion through a membrane.
Over activity of this enzyme causes hyperacidity by producing more of hydrochloric acid inside the stomach.
This enzyme, therefore, has been found to be a good target for designing compounds to treat hyperacidity.
A quantitative structure-activity relationship (QSAR) study has been made on a novel series of biaryl imidazole derivatives acting as H+/K+-ATPase inhibitors.
The H+/K+-ATPase inhibition activity of these compounds is found to be significantly correlated with global topological charge indices (GTCIs) and the total polar surface area (TPSA) of the molecules, indicating the involvement of strong electronic interaction between the molecule and the receptor.
Based on the correlations obtained, some new H+/K+-ATPase inhibitors are predicted.
The docking studies of these predicted compounds exhibit that these compounds will have even better interaction with the receptor than those already marketed.
Thus, they can prove more potent drugs for the treatment of hyperacidity.
American Psychological Association (APA)
Agarwal, Neeraj& Bajpai, Anubha& Srivastava, Vivek& Gupta, Satya P.. 2013. A Quantitative Structure-Activity Relationship and Molecular Modeling Study on a Series of Biaryl Imidazole Derivatives Acting as H+K+-ATPase Inhibitors. Structural Biology،Vol. 2013, no. 2013, pp.1-11.
https://search.emarefa.net/detail/BIM-499942
Modern Language Association (MLA)
Agarwal, Neeraj…[et al.]. A Quantitative Structure-Activity Relationship and Molecular Modeling Study on a Series of Biaryl Imidazole Derivatives Acting as H+K+-ATPase Inhibitors. Structural Biology No. 2013 (2013), pp.1-11.
https://search.emarefa.net/detail/BIM-499942
American Medical Association (AMA)
Agarwal, Neeraj& Bajpai, Anubha& Srivastava, Vivek& Gupta, Satya P.. A Quantitative Structure-Activity Relationship and Molecular Modeling Study on a Series of Biaryl Imidazole Derivatives Acting as H+K+-ATPase Inhibitors. Structural Biology. 2013. Vol. 2013, no. 2013, pp.1-11.
https://search.emarefa.net/detail/BIM-499942
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-499942