Design and synthesis of potent hydroxamate inhibitors with increased selectivity within the gelatinase familyElectronic supplementary information (ESI) available: Torsional energies of the Csp2-Csp2 and Csp2-Nsp2 scan; and per-residue energy decomposition of the four systems. 1H NMR and 13C NMR spectra of compounds 1a-g, 7, 13 and 14. See DOI: 10.1039/c4ob01516a

MMP-2 is a validated target for the development of anticancer agents. Herein we describe the synthesis of a new series of potent phenylalanine derived hydroxamates, with increased MMP-2/MMP-9 selectivity compared to analogous hydroxamates described previously. Docking and molecular dynamics experiments have been used to account for this selectivity, and to clarify the role of the triazole ring in the binding process. Triazole-based inhibitors with high potency and selectivity for MMP-2 were obtained through a click chemistry approach.