MMP-1 (collagenase 1) proteins are vital in the degradation and breakdown of physiological processes in terms of tissue remodeling in diseases such as Alzheimer's, some cancers, and osteoarthritis. In silico studies of ligand-protein interactions on proteins 966C and 1HFC provide data that models intermolecular interactions between the protein and ligand. CDOCKER protocol  in Discovery Studio software, an Accerlys product, docks a ligand into a protein, and visualizes its pathway and selectivity. Results indicate the presence of a flexible loop, in which a ligand will take a specific route and confirmations into the catalytic site of the protein. The flexible loop is under further investigation. This data may provide valuable knowledge on ligand-protein interactions that could lead to pharmaceutical advancement and further experimentation.

Rational design for matrix metalloproteinase (MMP-1)

247th National Meeting (2014)

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