Faculty Opinions recommendation of In silico activity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen.

2011 ◽  
Author(s):  
Patrick Duffy
Keyword(s):  
High Throughput ◽  
Mechanism Of Action ◽  
In Silico ◽  
High Throughput Screen ◽  
Activity Profiling

scholarly journals Indoline-6-Sulfonamide Inhibitors of the Bacterial Enzyme DapE

Antibiotics ◽  
2020 ◽  
Vol 9 (9) ◽  
pp. 595
Author(s):  
Cory T. Reidl ◽  
Tahirah K. Heath ◽  
Iman Darwish ◽  
Rachel M. Torrez ◽  
Maxwell Moore ◽  
...  
Keyword(s):  
Molecular Docking ◽  
High Throughput ◽  
Mechanism Of Action ◽  
Active Site ◽  
Diaminopimelic Acid ◽  
Zinc Binding ◽  
High Throughput Screen ◽  
Inhibitory Potency ◽  
Bacterial Enzyme ◽  
Site Binding

Inhibitors of the bacterial enzyme dapE-encoded N-succinyl-l,l-diaminopimelic acid desuccinylase (DapE; EC 3.5.1.18) hold promise as antibiotics with a new mechanism of action. Herein we describe the discovery of a new series of indoline sulfonamide DapE inhibitors from a high-throughput screen and the synthesis of a series of analogs. Inhibitory potency was measured by a ninhydrin-based DapE assay recently developed by our group. Molecular docking experiments suggest active site binding with the sulfonamide acting as a zinc-binding group (ZBG).

scholarly journals In silicoactivity profiling reveals the mechanism of action of antimalarials discovered in a high-throughput screen

2008 ◽  
Vol 105 (26) ◽  
pp. 9059-9064 ◽  
Author(s):  
David Plouffe ◽  
Achim Brinker ◽  
Case McNamara ◽  
Kerstin Henson ◽  
Nobutaka Kato ◽  
...  
Keyword(s):  
High Throughput ◽  
Mechanism Of Action ◽  
High Throughput Screen

scholarly journals Application of a novel in silico high-throughput screen to identify selective inhibitors for protein–protein interactions

2010 ◽  
Vol 20 (18) ◽  
pp. 5411-5413 ◽  
Author(s):  
Catherine Joce ◽  
Joshua A. Stahl ◽  
Mitesh Shridhar ◽  
Mark R. Hutchinson ◽  
Linda R. Watkins ◽  
...  
Keyword(s):  
High Throughput ◽  
Protein Interactions ◽  
In Silico ◽  
High Throughput Screen ◽  
Protein Protein Interactions ◽  
Selective Inhibitors
Sign in / Sign up

Export Citation Format

Share Document