QSAR Models for CXCR2 Receptor Antagonists Based on the Genetic Algorithm for Data Preprocessing Prior to Application of the PLS Linear Regression Method and Design of the New Compounds Using In Silico Virtual Screening

QSAR Models for CXCR2 Receptor Antagonists Based on the Genetic Algorithm for Data Preprocessing Prior to Application of the PLS Linear Regression Method and Design of the New Compounds Using In Silico Virtual Screening

The CXCR2 receptors play a pivotal role in inflammatory disorders and CXCR2 receptor antagonists can in principle be used in the treatment of inflammatory and related diseases. In this study, quantitative relationships between the structures of 130 antagonists of the CXCR2 receptors and their activi...

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Bibliographic Details
Main Authors: Tahereh Asadollahi, Shayessteh Dadfarnia, Ali Mohammad Haji Shabani, Jahan B. Ghasemi, Maryam Sarkhosh
Format: Article
Language:English
Published: MDPI AG 2011-02-01
Series:Molecules
Subjects:
QSAR
CXCR2 receptor
in silico screening
estimation of pIC50
Online Access:http://www.mdpi.com/1420-3049/16/3/1928/

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http://www.mdpi.com/1420-3049/16/3/1928/

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