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Strategic Targeting of Multiple Water‐Mediated Interactions: A Concise and Rational Structure‐Based Design Approach to Potent and Selective MMP‐13 Inhibitors
Author(s) -
Fischer Thomas,
Riedl Rainer
Publication year - 2013
Publication title -
chemmedchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.817
H-Index - 100
eISSN - 1860-7187
pISSN - 1860-7179
DOI - 10.1002/cmdc.201300278
Subject(s) - rational design , matrix metalloproteinase , computational biology , chemistry , combinatorial chemistry , pharmacology , computer science , nanotechnology , biology , biochemistry , materials science
Water in the architecture of life: Potent and selective matrix metalloproteinase‐13 (MMP‐13) inhibitors were rationally designed by targeting multiple water‐mediated interactions between the target protein and small‐molecule inhibitors. This structure‐based design concept offers tremendous opportunities for the discovery of unique small molecules with tailored biological activity.