Structural approach of the mechanism of inhibition of alpha-chymotrypsin by coumarins

Johan Wouters; Marjorie Huygens; Lionel Pochet; Bernard Pirotte; François Durant; Bernard Masereel

doi:10.1016/s0960-894x(02)00073-2

Structural approach of the mechanism of inhibition of alpha-chymotrypsin by coumarins

Bioorg Med Chem Lett. 2002 Apr 8;12(7):1109-12. doi: 10.1016/s0960-894x(02)00073-2.

Authors

Johan Wouters¹, Marjorie Huygens, Lionel Pochet, Bernard Pirotte, François Durant, Bernard Masereel

Affiliation

¹ Laboratoire de Chimie Moléculaire Structurale, Facultés Universitaires N.-D. de la Paix, 61 rue de Bruxelles, B-5000 Namur, Belgium.

PMID: 11909728
DOI: 10.1016/s0960-894x(02)00073-2

Abstract

A pharmacophore associated to the inhibiton of alpha-chymotrypsin has been built based on the structural and electronic characterization of a series of coumarin derivatives.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Anticoagulants / pharmacology*
Binding Sites
Chymotrypsin / antagonists & inhibitors*
Coumarins / pharmacology*
Crystallization
Crystallography, X-Ray
Models, Molecular
Models, Structural

Substances

Anticoagulants
Coumarins
Chymotrypsin
alpha-chymotrypsin