Collect. Czech. Chem. Commun. 1998, 63, 1635-1645

The Effect of Electrostatic Properties and Abibility to Form Hydrogen-Bonds on the Activity of Brassinosteroid Side-Chain Analogs

Carme Brosaa, Ismael Zamoraa, Emma Terricabrasa and Ladislav Kohoutb

a Institut Quimic de Sarria, CETS, Universität Ramon Llull, Via Augusta 390, 08024 Barcelona, Spain
b Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, 166 10 Prague 6, Czech Republic


Molecular modeling studies on three brassinosteroids analogs having ester and amide function in the side chain have been performed. The activity of such compounds from the structural point of view is discussed in terms of electrostatic potential and ability to form hydrogen bonds.

Keywords: Steroids; Brassinosteroids; Structure-activity relationship; Rice lamina inclination test; Electrostatic potential; MEP Map; GRID map; H-bonds; Molecular dynamics.