Analogue based design of MMP-13 (Collagenase-3) inhibitors
| Autor: | Jagarlapudi A. R. P. Sarma, G. Rambabu, K. Srikanth, Muga Vithal, D. Raveendra |
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| Rok vydání: | 2002 |
| Předmět: |
Models
Molecular Quantitative structure–activity relationship Molecular model Protein Conformation Stereochemistry Matrix metalloproteinase inhibitor Receptors Drug Clinical Biochemistry Quantitative Structure-Activity Relationship Pharmaceutical Science Matrix Metalloproteinase Inhibitors Matrix metalloproteinase Biochemistry Matrix Metalloproteinase 13 Drug Discovery medicine Protease Inhibitors Collagenases Molecular Biology biology Chemistry Organic Chemistry Enzyme inhibitor biology.protein Collagenase Regression Analysis Molecular Medicine Algorithms medicine.drug Three dimensional model |
| Zdroj: | Bioorganic & Medicinal Chemistry Letters. 12:2689-2693 |
| ISSN: | 0960-894X |
| DOI: | 10.1016/s0960-894x(02)00559-0 |
| Popis: | 3D-QSAR studies using MFA and RSA methods were performed on a series of 39MMP-13 inhibitors. Model developed by MFA method has a r(2)(cv) (cross-validated) of 0.616 while its r(2) (conventional) value is 0.822. For the RSA model r(2)(cv) and r(2) are 0.681 and 0.847, respectively. Both the models indicate good internal as well as external predictive abilities. These models provide crucial information about the field descriptors for the design of potential inhibitors of MMP-13. |
| Databáze: | OpenAIRE |
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