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In silico exploration for identifying structure-activity relationship of MEK inhibition and oral bioavailability for isothiazole derivatives

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National Technical University of Athens   

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In silico exploration for identifying structure-activity relationship of MEK inhibition and oral bioavailability for isothiazole derivatives (EN)
Melagraki, G (EN)
Kollias, G (EN)
Koutentis, PA (EN)
Sarimveis, H (EN)
Igglessi-Markopoulou, O (EN)
Afantitis, A (EN)
journalArticle (EN)
2014-03-01T01:33:38Z
2010 (EN)
In this study, quantitative structure-activity/property models are developed for modeling and predicting both MEK inhibitory activity and oral bioavailability of novel isothiazole-4-carboxamidines. The models developed are thoroughly discussed to identify the key components that influence the inhibitory activity and oral bioavailability of the selected compounds. These selected descriptors serve as a first guideline for the design of novel and potent MEK inhibitors with desired ADME properties. © 2010 John Wiley & Sons A/S. (EN)
Biochemistry & Molecular Biology (EN)
computer model (EN)
Oral bioavailability (EN)
In silico screening (EN)
ADME (EN)
Administration, Oral (EN)
isothiazole derivative (EN)
drug structure (EN)
mitogen activated protein kinase (EN)
Biological Availability (EN)
MEK inhibitor (EN)
drug identification (EN)
article (EN)
drug bioavailability (EN)
Isothiazole (EN)
Protein Kinase Inhibitors (EN)
Algorithms (EN)
Mitogen-Activated Protein Kinase Kinases (EN)
QSAR (EN)
Thiazoles (EN)
priority journal (EN)
Quantitative Structure-Activity Relationship (EN)
Chemical Biology and Drug Design (EN)
English
WILEY-BLACKWELL PUBLISHING, INC (EN)
National Technical University of Athens
Digital Library of National Technical University of Athens | Dspace@NTUA
Κεντρική Βιβλιοθήκη Ε.Μ.Π.
Ιδρυματικό Αποθετήριο
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