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Analogue based design of MMP-13 (Collagenase-3) inhibitors
J A R P Sarma1, G Rambabu, K Srikanth
1gvk bioSciences Pvt. Ltd., #210, My Home Tycoon, 6-3-1192, Begumpet, Hyderabad, India. sarma@gvkbio.com
Bioorganic & Medicinal Chemistry Letters
|September 10, 2002
Abstract:
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.