Studies on the conformational interconversion of sulfonylurea molecules insolution by molecular dynamics simulation method

Authors
Shen, RX Fang, YY Ma, Y Sun, HW Lai, CM Li, ZM
Citation
Rx. Shen et al., Studies on the conformational interconversion of sulfonylurea molecules insolution by molecular dynamics simulation method, CHEM J CH U, 22(6), 2001, pp. 952-954
Citations number
4
Categorie Soggetti
Chemistry
Journal title
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
ISSN journal
02510790 → ACNP
Volume
22
Issue
6
Year of publication
2001
Pages
952 - 954
Database
ISI
SICI code
0251-0790(200106)22:6<952:SOTCIO>2.0.ZU;2-W
Abstract
The conformational interconversion of sulfonylurea molecules in solution wa s studied. The behavior of the compound in non-polar solvent and polar solv ent was simulated with molecular dynamics. The variety of conformation whic h may be provided to the research of structure-activity relationship for re ference was studied.