Cheminformatics-based drug design approach for identification of inhibitors targeting the characteristic residues of MMP-13 hemopexin domain.

Kothapalli, Roopa

Cheminformatics-based drug design approach for identification of inhibitors targeting the characteristic residues of MMP-13 hemopexin domain. [electronic resource] - PloS one Aug 2010 - e12494 p. digital

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

1932-6203

10.1371/journal.pone.0012494 doi


Amino Acid Sequence
Drug Design
Enzyme Inhibitors--chemistry
Hemopexin--metabolism
Humans
Informatics--methods
Ligands
Matrix Metalloproteinase 13--chemistry
Matrix Metalloproteinase Inhibitors
Models, Molecular
Molecular Conformation
Molecular Sequence Data
Protein Binding
Protein Structure, Tertiary
Sequence Analysis, DNA
Substrate Specificity