title: Structure-based design of potent and selective inhibitors of collagenase-3 (MMP-13).
abstract: Computer aided drug design led to a new class of spiro-barbiturates (e.g., 4a, MMP-13 K(i)=4.7 nM) that are potent inhibitors of MMP-13.
authors.affiliation: Bristol Myers Squibb Co., Pharmaceutical Research Institute, PO Box 4000, Princeton, NJ 08560, USA. soonghoon.kim@bms.com
authors.forename: Soong-Hoon
authors.initials: SH
authors.lastname: Kim
authors.forename: Andrew T
authors.initials: AT
authors.lastname: Pudzianowski
authors.forename: Kenneth J
authors.initials: KJ
authors.lastname: Leavitt
authors.forename: Joseph
authors.initials: J
authors.lastname: Barbosa
authors.forename: Patricia A
authors.initials: PA
authors.lastname: McDonnell
authors.forename: William J
authors.initials: WJ
authors.lastname: Metzler
authors.forename: Bruce M
authors.initials: BM
authors.lastname: Rankin
authors.forename: Richard
authors.initials: R
authors.lastname: Liu
authors.forename: Wayne
authors.initials: W
authors.lastname: Vaccaro
authors.forename: William
authors.initials: W
authors.lastname: Pitts
mesh_terms: D001463:Barbiturates / Q000138:chemical synthesis* / Q000494:pharmacology; D003198:Computer Simulation; D017076:Computer-Aided Design; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D006801:Humans; D007700:Kinetics; D053509:Matrix Metalloproteinase 13; D061965:Matrix Metalloproteinase Inhibitors; D008958:Models, Molecular; D010003:Osteoarthritis / Q000188:drug therapy; D013141:Spiro Compounds / Q000138:chemical synthesis / Q000494:pharmacology; D013329:Structure-Activity Relationship
chemical_list: D001463:Barbiturates; D004791:Enzyme Inhibitors; D061965:Matrix Metalloproteinase Inhibitors; D013141:Spiro Compounds; C507079:MMP13 protein, human; D053509:Matrix Metalloproteinase 13