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Synthesis and molecular docking study of some novel 2,3-disubstituted quinazolin-4(3H)-one derivatives as potent inhibitors of urease.
Bioorg Chem. 2018 10; 80:121-128.BC

Abstract

A new series of 2,3-disubstituted quinazolin-4(3H)-one compounds including oxadiazole and furan rings was synthesized. Their inhibitory activities on urease were assessed in vitro. All newly synthesized compounds exhibited potent urease inhibitory activity in the range of IC50 = 1.55 ± 0.07-2.65 ± 0.08 µg/mL, when compared with the standard urease inhibitors such as thiourea (IC50 = 15.08 ± 0.71 µg/mL) and acetohydroxamic acid (IC50 = 21.05 ± 0.96 µg/mL). 2,3-Disubstituted quinazolin-4(3H)-one derivatives containing furan ring (3a-e) were found to be the most active inhibitors when compared with the compounds 2a-e bearing oxadiazole ring. Compound 3a, bearing 4-chloro group on phenyl ring, was found as the most effective inhibitor of urease with the IC50 value of 1.55 ± 0.11 µg/mL. The molecular docking studies of the newly synthesized compounds were performed to identify the probable binding modes in the active site of the Jack bean urease (JBU) enzymes.

Authors+Show Affiliations

Department of Chemistry, Art and Science Faculty, Recep Tayyip Erdogan University, Rize, Turkey.Department of Chemistry, Art and Science Faculty, Recep Tayyip Erdogan University, Rize, Turkey. Electronic address: emre.mentese@erdogan.edu.tr.Department of Chemistry, Art and Science Faculty, Recep Tayyip Erdogan University, Rize, Turkey.Department of Chemistry, Art and Science Faculty, Recep Tayyip Erdogan University, Rize, Turkey.

Pub Type(s)

Journal Article

Language

eng

PubMed ID

29894891

Citation

Akyüz, Gülay, et al. "Synthesis and Molecular Docking Study of some Novel 2,3-disubstituted quinazolin-4(3H)-one Derivatives as Potent Inhibitors of Urease." Bioorganic Chemistry, vol. 80, 2018, pp. 121-128.
Akyüz G, Menteşe E, Emirik M, et al. Synthesis and molecular docking study of some novel 2,3-disubstituted quinazolin-4(3H)-one derivatives as potent inhibitors of urease. Bioorg Chem. 2018;80:121-128.
Akyüz, G., Menteşe, E., Emirik, M., & Baltaş, N. (2018). Synthesis and molecular docking study of some novel 2,3-disubstituted quinazolin-4(3H)-one derivatives as potent inhibitors of urease. Bioorganic Chemistry, 80, 121-128. https://doi.org/10.1016/j.bioorg.2018.06.011
Akyüz G, et al. Synthesis and Molecular Docking Study of some Novel 2,3-disubstituted quinazolin-4(3H)-one Derivatives as Potent Inhibitors of Urease. Bioorg Chem. 2018;80:121-128. PubMed PMID: 29894891.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Synthesis and molecular docking study of some novel 2,3-disubstituted quinazolin-4(3H)-one derivatives as potent inhibitors of urease. AU - Akyüz,Gülay, AU - Menteşe,Emre, AU - Emirik,Mustafa, AU - Baltaş,Nimet, Y1 - 2018/06/04/ PY - 2018/04/13/received PY - 2018/05/25/revised PY - 2018/06/03/accepted PY - 2018/6/13/pubmed PY - 2019/4/23/medline PY - 2018/6/13/entrez KW - Furan KW - Molecular docking study KW - Oxadiazole KW - Quinazolin-4(3H)-one KW - Urease inhibition SP - 121 EP - 128 JF - Bioorganic chemistry JO - Bioorg Chem VL - 80 N2 - A new series of 2,3-disubstituted quinazolin-4(3H)-one compounds including oxadiazole and furan rings was synthesized. Their inhibitory activities on urease were assessed in vitro. All newly synthesized compounds exhibited potent urease inhibitory activity in the range of IC50 = 1.55 ± 0.07-2.65 ± 0.08 µg/mL, when compared with the standard urease inhibitors such as thiourea (IC50 = 15.08 ± 0.71 µg/mL) and acetohydroxamic acid (IC50 = 21.05 ± 0.96 µg/mL). 2,3-Disubstituted quinazolin-4(3H)-one derivatives containing furan ring (3a-e) were found to be the most active inhibitors when compared with the compounds 2a-e bearing oxadiazole ring. Compound 3a, bearing 4-chloro group on phenyl ring, was found as the most effective inhibitor of urease with the IC50 value of 1.55 ± 0.11 µg/mL. The molecular docking studies of the newly synthesized compounds were performed to identify the probable binding modes in the active site of the Jack bean urease (JBU) enzymes. SN - 1090-2120 UR - https://www.unboundmedicine.com/medline/citation/29894891/Synthesis_and_molecular_docking_study_of_some_novel_23_disubstituted_quinazolin_4_3H__one_derivatives_as_potent_inhibitors_of_urease_ L2 - https://linkinghub.elsevier.com/retrieve/pii/S0045-2068(18)30363-8 DB - PRIME DP - Unbound Medicine ER -