2‐(Hetero(aryl)methylene)hydrazine‐1‐carbothioamides as Potent Urease Inhibitors. (10th July 2014)

• Record Type: Journal Article
• Authors: Saeed, Aamer; Imran, Aqeel; Channar, Pervaiz A.; Shahid, Mohammad; Mahmood, Wajahat; Iqbal, Jamshed
• Is Part Of: Chemical biology & drug design. Volume 85:Number 2(2015:Feb.)
• Page Start: 225
• Page End: 230
• Publication Date: 2014-07-10
• Subjects: Drugs -- Design -- Periodicals; Pharmaceutical chemistry -- Periodicals; Biochemistry -- Periodicals; 615.19005
• DOI: 10.1111/cbdd.12379
• Languages: English
• ISSNs: 1747-0277

Abstract

<abstract abstract-type="main" id="cbdd12379-abs-0001"> <title> <x xml:space="preserve">Abstract</x> </title> <p>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 <bold>(3f)</bold>, having a furan ring, was the most potent inhibitor of urease with an IC₅₀ value of 0.58 <italic>μ</italic><sc>m</sc>. 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).</p> </abstract>