Receptor-based 3D-QSAR approach to find selectivity features of flexible similar binding sites: case study on MMP-12/MMP-13

Design of selective matrix metalloproteinases (MMPs) inhibitors is still a challenging task because of binding pocket similarities and flexibility among MMPs family. To overcome this issue we try to generate a (three-dimensional quantitative structure activity relationship) 3D-QSAR model that might...

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Vydáno v:	International journal of bioinformatics research and applications Ročník 11; číslo 4; s. 326
Hlavní autoři:	Hadizadeh, Farzin, Shamsara, Jamal
Médium:	Journal Article
Jazyk:	angličtina
Vydáno:	Switzerland 2015
Témata:	Binding Sites Computational Biology - methods Matrix Metalloproteinase 12 - chemistry Matrix Metalloproteinase 12 - metabolism Matrix Metalloproteinase 13 - chemistry Matrix Metalloproteinase 13 - metabolism Matrix Metalloproteinase Inhibitors - chemistry Matrix Metalloproteinase Inhibitors - metabolism Models, Molecular Protein Conformation Quantitative Structure-Activity Relationship binding sites inhibitors ligands selective matrix MMPs binding pocket similarities receptors selectivity features 3D-QSAR metalloproteinases modelling case study flexibility quantitative structure activity relationship zinc binding group bioinformatics MMP-13 MMP-12 CoMFA CoMSIA
ISSN:	1744-5485
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