A preliminary in silico lead series of 2-phthalimidinoglutaric acid analogues designed as MMP-3 inhibitors

EA Amin, WJ Welsh - Journal of chemical information and …, 2006 - ACS Publications
Matrix metalloproteinases (MMPs) have been the subject of intense research because of
their roles in tumor metastasis and in the rise and spread of degenerative diseases such as
osteo-and rheumatoid arthritis. A preliminary class of 140 druglike, small-molecule matrix
metalloproteinase-3 inhibitors, intended as starting scaffolds for optimization and synthesis,
has been designed in silico using a series of highly predictive three-dimensional
quantitative structure− activity relationship models, including comparative molecular field …
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