A comparative molecular field analysis (COMFA) of the structural determinants of heat-stable enterotoxins mediating activation of guanylyl cyclase C.
Publication/Presentation Date
4-11-2002
Abstract
The heat-stable enterotoxin binds to and activates guanylyl cyclase C (GC-C), regulating fluid and electrolyte secretion in intestinal epithelial cells. A COMFA model was developed to predict the primary interactions between GC-C agonists and their receptor. This model predicts that the amide backbone of Cys(5)-Cys(6)-Glu(7)-Leu(8), the beta carbon atoms of Cys(5)-Cys(6), and the side chains of Pro(12), Ala(13), and Ala(15) comprise the primary interactions of GC-C agonists with the receptor surface.
Volume
45
Issue
8
First Page
1731
Last Page
1734
ISSN
0022-2623
Published In/Presented At
Wolfe, H. R., & Waldman, S. A. (2002). A comparative molecular field analysis (COMFA) of the structural determinants of heat-stable enterotoxins mediating activation of guanylyl cyclase C. Journal of medicinal chemistry, 45(8), 1731–1734. https://doi.org/10.1021/jm010208a
Disciplines
Business Administration, Management, and Operations | Health and Medical Administration | Management Sciences and Quantitative Methods
PubMedID
11931628
Department(s)
Administration and Leadership
Document Type
Article