Metal complexes of gliclazide: Preparation, spectroscopic and thermal characterization. Biological potential study of sulphonylurea gliclazide on the house fly, Musca domestica (Diptera – Muscidae)

Due to increasing interest in the field of heme oxygenases (HOs), we built a ligand database called HemeOxDB that includes the entire set of known HO-1 and HO-2 inhibitors, resulting in more than 400 compounds. The HemeOxDB is available online at http://www.researchdsf.unict.it/hemeoxdb/, and having a robust search engine allows end users to build complex queries, sort tabulated results, and generate color-coded two- and three-dimensional graphs. This database will grow to be a tool for the design of potent and selective HO-1 or HO-2 inhibitors. We were also interested in virtually searching for alternative inhibitors, and, for the first time in the field of HOs, a quantitative structure-activity relationship (QSAR) model was built using half-maximal inhibitory concentration (IC ) values of the whole set of known HO-1 inhibitors, taken from the HemeOxDB and employing the Monte Carlo technique. The statistical quality suggested that the model is robust and possesses desirable predictive potential. The screening of US Food and Drug Administration (FDA)-approved drugs, external to our dataset, suggested new predicted inhibitors, opening the way for replacing imidazole groups. The HemeOxDB and the QSAR model reported herein may help in prospectively identifying or repurposing new drugs with optimal structural attributes for HO enzyme inhibition.

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Heme Oxygenase Database (HemeOxDB) and QSAR Analysis of Isoform 1 Inhibitors

Amata

Marrazzo

Dichiara

et al. 2017

ChemMedChem

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Mass spectra of gliclazide drug at various ion sources temperature

Zayed

El-Dien

Hawash

et al. 2010

J Therm Anal Calorim

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Charge-transfer complexes of hypoglycemic sulfonamide with π-acceptors: Experimental and DFT-TDDFT studies

Soltani¹,

Magri

Rogalski

et al. 2019

Journal of Molecular Structure

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Metal complexes of gliclazide: Preparation, spectroscopic and thermal characterization. Biological potential study of sulphonylurea gliclazide on the house fly, Musca domestica (Diptera – Muscidae)

Cited by 6 publications

References 23 publications

Heme Oxygenase Database (HemeOxDB) and QSAR Analysis of Isoform 1 Inhibitors

Heme Oxygenase Database (HemeOxDB) and QSAR Analysis of Isoform 1 Inhibitors

Mass spectra of gliclazide drug at various ion sources temperature

Charge-transfer complexes of hypoglycemic sulfonamide with π-acceptors: Experimental and DFT-TDDFT studies

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