GET THE APP

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 | Abstract

Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry

ISSN: 0975-413X

ilbet

süperbetin giriş

All submissions of the EM system will be redirected to Online Manuscript Submission System. Authors are requested to submit articles directly to Online Manuscript Submission Systemof respective journal.

agariookey oyna istanbul okey

Abstract

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 multiple regression analysis is 0.944. A new series of compounds have been thus proposed based upon the QSAR model generated. These compounds were docked with the protein and ADME properties of each of the newly proposed compounds were studied using Swiss ADME that highlights physiochemical properties of the compounds, their lipophilicity, solubility, drug likeliness, pharmacokinetics, etc. Toxicity prediction of these compounds is also made, making them suitable leads against ACE 1.


Full-Text PDF

rokettube brazzers

paper.io

agar io

wowcappadocia.com
cappadocia-hotels.com
balloon-rides.net

wormax io

Smok
Elektronik Sigara