1. Home page
  2. Search

A novel QSAR model for predicting the inhibition of CXCR3 receptor by 4-N-aryl-[1,4] diazepane ureas

This item is provided by the institution :
National Technical University of Athens   

Repository :
Digital Library of National Technical University of Athens | Dspace@NTUA   

see the original item page
in the repository's web site and access all digital files if the item*



A novel QSAR model for predicting the inhibition of CXCR3 receptor by 4-N-aryl-[1,4] diazepane ureas (EN)
Melagraki, G (EN)
Kollias, G (EN)
Sarimveis, H (EN)
Igglessi-Markopoulou, O (EN)
Afantitis, A (EN)
journalArticle (EN)
2014-03-01T01:29:35Z
2009 (EN)
A linear quantitative structure-activity relationship (QSAR) model is presented for modeling and predicting the inhibition of CXCR3 receptor. The model was produced by using the multiple linear regression (MLR) technique on a database that consists of 32 recently discovered 4-N-aryl-[1,4] diazepane ureas. The key conclusion of this study is that (3)k, ChiInf8, ChiInf0, AtomCompTotal and ClogP affect significantly the inhibition of CXCR3 receptor by diazepane ureas. The selected physicochemical descriptors serve as a first guideline for the design of novel and potent antagonists of CXCR3. (c) 2008 Elsevier Masson SAS. All rights reserved. (EN)
Chemistry, Medicinal (EN)
molecular model (EN)
Humans (EN)
polycyclic aromatic hydrocarbon derivative (EN)
drug structure (EN)
Inflammatory diseases (EN)
data base (EN)
evaluation (EN)
CXCR3 (EN)
Molecular modeling (EN)
Drug Design (EN)
quantitative structure activity relation (EN)
Quantitative Structure-Activity Relationship (EN)
inhibition kinetics (EN)
chemokine receptor CXCR3 (EN)
physical chemistry (EN)
Models, Molecular (EN)
Linear Models (EN)
multiple linear regression analysis (EN)
article (EN)
Urea (EN)
QSAR (EN)
chemokine receptor antagonist (EN)
prediction (EN)
Receptors, CXCR3 (EN)
urea derivative (EN)
European Journal of Medicinal Chemistry (EN)
English
ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER (EN)
National Technical University of Athens
Digital Library of National Technical University of Athens | Dspace@NTUA
Κεντρική Βιβλιοθήκη Ε.Μ.Π.
Ιδρυματικό Αποθετήριο
Δημοσιεύσεις μελών Δ.Ε.Π. σε περιοδικά



*Institutions are responsible for keeping their URLs functional (digital file, item page in repository site)