title: Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure.
abstract: Prototypical thrombin inhibitors were synthesized based on a trisubstituted phenol as a core motif. A naphthylsulfonamide analogue showed excellent antithrombin activity. An X-ray co-crystal structure showed the expected interactions.
authors.affiliation: Department of Chemistry, Université de Montréal, C.P. 6128, Succ. Centre-Ville, Montréal, PQ, Canada H3C 3J7. stephen.hanessian@umontreal.ca
authors.forename: Stephen
authors.initials: S
authors.lastname: Hanessian
authors.forename: Eric
authors.initials: E
authors.lastname: Therrien
authors.forename: Willem A L
authors.initials: WA
authors.lastname: van Otterlo
authors.forename: Malken
authors.initials: M
authors.lastname: Bayrakdarian
authors.forename: Ingemar
authors.initials: I
authors.lastname: Nilsson
authors.forename: Ola
authors.initials: O
authors.lastname: Fjellström
authors.forename: Yafeng
authors.initials: Y
authors.lastname: Xue
mesh_terms: D000925:Anticoagulants / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D000991:Antithrombins / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D018360:Crystallography, X-Ray; D015195:Drug Design; D008958:Models, Molecular; D015394:Molecular Structure; D010636:Phenols / Q000138:chemical synthesis / Q000737:chemistry / Q000494:pharmacology; D013329:Structure-Activity Relationship; D013917:Thrombin / Q000037:antagonists & inhibitors*
chemical_list: D000925:Anticoagulants; D000991:Antithrombins; D010636:Phenols; D013917:Thrombin