Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry
ISSN: 0975-413X
Ayesha Sanober
Department of Biotechnology, Meerut Institute of Engineering and Technology, Meerut 250005, IndiaPublications
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Research Article
Quantitative Structure-Activity Relationship and Molecular Modeling Studies on a Series of Hydroxypyrrolo[2,1-c][1,4]Benzodiazepine-5,11-dione Acting as Angiotensin Converting Enzyme I Inhibitors
Author(s): Ayesha Sanober and Neeraj Agarwal*
Angiotensin-Converting Enzyme (ACE) 1 shows myriad activities that can be associated with the rennin-angiotensin system. From hypertension and electrolyte balance to oxidative stress, ACE contributes to various functions in the body. The versatility of these inhibitors makes them an interesting subject to ponder upon. However, the purpose of this paper is to study a series of ACE inhibitors and predict yet better compounds of the series. Hence a series of hydroxypyrrolo[2,1-c][1,4]benzodiazepine-5,11-dione compounds have been taken, and a quantitative structure-activity relationship (QSAR) study followed by modeling of molecules has been performed upon them, Obtained a cross-validated result (r2 cv) of 0.713 carried out by Leave one out method (LOO), and predicted (r2 press)=0.716 with the coefficient of correlation of (r) obtained by the mu.. Read More»
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Citations : 15261
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