Fraunhofer-Gesellschaft

Publica

Hier finden Sie wissenschaftliche Publikationen aus den Fraunhofer-Instituten.

2-(Hetero(aryl)methylene)hydrazine-1-carbothioamides as potent urease inhibitors

 
: Saeed, A.; Imran, A.; Channar, P.A.; Shahid, M.; Mahmood, W.; Iqbal, J.

:

Chemical biology and drug design 85 (2015), Nr.2, S.225-230
ISSN: 1747-0277
ISSN: 1747-0285
Englisch
Zeitschriftenaufsatz
Fraunhofer SCAI ()

Abstract
A small series of 2-(hetero(aryl)methylene) hydrazine-1-carbothioamides including two aryl derivatives was synthesized and tested for their inhibitory activity against urease. Compound (E)-2-(Furan-2-ylmethylene) hydrazine-1-carbothioamide (3f), having a furan ring, was the most potent inhibitor of urease with an IC50 value of 0.58 m. Molecular modeling was carried out through docking the designed compounds into the urease binding site to predict whether these derivatives have analogous binding mode to the urease inhibitors. The study revealed that all of the tested compounds bind with both metal atoms at the active site of the enzyme. The aromatic ring of the compounds forms ionic interactions with the residues, Ala(440), Asp(494), Ala(636), and Met(637).

: http://publica.fraunhofer.de/dokumente/N-301341.html