Premium
Cover Picture: Electron‐Density Determination of Electrophilic Building Blocks as Model Compounds for Protease Inhibitors (Eur. J. Org. Chem. 17/2007)
Author(s) -
Grabowsky Simon,
Pfeuffer Thomas,
Chęcińska Lilianna,
Weber Manuela,
Morgenroth Wolfgang,
Luger Peter,
Schirmeister Tanja
Publication year - 2007
Publication title -
european journal of organic chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.825
H-Index - 155
eISSN - 1099-0690
pISSN - 1434-193X
DOI - 10.1002/ejoc.200790032
Subject(s) - chemistry , aziridine , electrophile , cover (algebra) , nucleophile , molecule , reactivity (psychology) , ring (chemistry) , computational chemistry , crystallography , stereochemistry , organic chemistry , catalysis , mechanical engineering , medicine , alternative medicine , pathology , engineering
Abstract The cover picture shows iso‐surfaces of a protease inhibitor model compound that provides information on its reactivity. The electrostatic potential mapped on the electron density of the complete molecule and on the biologically active aziridine region shows that a nucleophilic attack must take place at carbon atom C1 of the aziridine ring. The Zero Laplacian iso‐surface shows possible sites of the attack by means of holes in this surface. The results were obtained from ultra‐high resolution synchrotron X‐ray experiments at 9 K. Details are discussed in the article by T. Schirmeister et al. on pp. 2759 ff. C. B. Hübschle is acknowledged for preparing the artwork for the cover picture.