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2-(Hetero(aryl)methylene)hydrazine-1-carbothioamides as potent urease inhibitors.
Chem Biol Drug Des. 2015 Feb; 85(2):225-30.CB

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 μM. 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).

Authors+Show Affiliations

Department of Chemistry, Quaid-I-Azam University, Islamabad, 45320, Pakistan.No affiliation info availableNo affiliation info availableNo affiliation info availableNo affiliation info availableNo affiliation info available

Pub Type(s)

Journal Article

Language

eng

PubMed ID

24938644

Citation

Saeed, Aamer, et al. "2-(Hetero(aryl)methylene)hydrazine-1-carbothioamides as Potent Urease Inhibitors." Chemical Biology & Drug Design, vol. 85, no. 2, 2015, pp. 225-30.
Saeed A, Imran A, Channar PA, et al. 2-(Hetero(aryl)methylene)hydrazine-1-carbothioamides as potent urease inhibitors. Chem Biol Drug Des. 2015;85(2):225-30.
Saeed, A., Imran, A., Channar, P. A., Shahid, M., Mahmood, W., & Iqbal, J. (2015). 2-(Hetero(aryl)methylene)hydrazine-1-carbothioamides as potent urease inhibitors. Chemical Biology & Drug Design, 85(2), 225-30. https://doi.org/10.1111/cbdd.12379
Saeed A, et al. 2-(Hetero(aryl)methylene)hydrazine-1-carbothioamides as Potent Urease Inhibitors. Chem Biol Drug Des. 2015;85(2):225-30. PubMed PMID: 24938644.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - 2-(Hetero(aryl)methylene)hydrazine-1-carbothioamides as potent urease inhibitors. AU - Saeed,Aamer, AU - Imran,Aqeel, AU - Channar,Pervaiz A, AU - Shahid,Mohammad, AU - Mahmood,Wajahat, AU - Iqbal,Jamshed, Y1 - 2014/07/10/ PY - 2013/12/13/received PY - 2014/06/06/revised PY - 2014/06/10/accepted PY - 2014/6/19/entrez PY - 2014/6/19/pubmed PY - 2015/9/12/medline KW - Schiff bases KW - molecular modeling KW - thiosemicarbazones KW - urease inhibitors SP - 225 EP - 30 JF - Chemical biology & drug design JO - Chem Biol Drug Des VL - 85 IS - 2 N2 - 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 μM. 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). SN - 1747-0285 UR - https://www.unboundmedicine.com/medline/citation/24938644/2__Hetero_aryl_methylene_hydrazine_1_carbothioamides_as_potent_urease_inhibitors_ L2 - https://doi.org/10.1111/cbdd.12379 DB - PRIME DP - Unbound Medicine ER -