In vitro and in silico investigation of inhibitory activities of 3-arylcoumarins and 3-phenylazo-4-hydroxycoumarin on MAO isoenzymes

Yüce‐Dursun, Başak; Danış, Özkan; Özalp, Lalehan; Şahi̇n, Elif; Demir, Serap; Erdem, Safiye Sağ; Ogan, Ayşe

doi:10.1007/s11224-022-02092-x

Cited by 4 publications

(2 citation statements)

References 86 publications

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“…Azo group as a linker between two aromatic rings provide more suitable with the MAO−B binding pocket. Thus, the lead molecule 16 u can be used as a promising scaffold for selective MAO−B inhibition to enhance its pharmacological and pharmacokinetic characteristics Figure 20 [129] …”

Section: Molecular Dynamic Study Of Chalcones Coumarins and Chromones...mentioning

confidence: 99%

“…Thus, the lead molecule 16 u can be used as a promising scaffold for selective MAOÀ B inhibition to enhance its pharmacological and pharmacokinetic characteristics Figure 20. [129] Damasy et al (2023), synthesized a various 6-amidocoumarin derivatives(17 a-17 j), and evaluated for their MAO's and cholinesterase enzymes. Among series of compounds synthe-sized, lead molecule 17 i showed most potent inhibition towards MAOÀ B with an IC 50 value of 0.095 μM, by 17 j with IC 50 value of 0.150 μM respectively.…”

Section: Study Of Coumarinsmentioning

confidence: 99%

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A Comprehensive Review of The Molecular Dynamic Study Of Chalcones, Coumarins and Chromones as Selective MAO‐B Inhibitors [2015‐Till Date]

Rachel Thomas,

Chandran,

Thomas Parambi

et al. 2024

ChemistrySelect

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Molecular dynamics (MD) simulation is an in silico method used in the biomolecular level of research to study how the protein interacts with the target with time. It provides a detailed information of the protein dynamics and ligand structure with the crucial amino acid interactions. Monoamine oxidase B (MAO−B) is a crucial isoenzyme responsible for the catalyses of oxidative deamination of various biogenic amines in the brain and peripheral tissues. The selective inhibitors of MAO−B are considered as the management of symptoms of neurodegenerative disorders like Alzheimer's disease(AD) and Parkinson disease(PD). Recently the structural scaffolds containing chalcones, coumarins and chromones derived candidates shown potent, selective, competitive and reversible type of MAO−B inhibitors. The structural similarities between the above scaffolds can produce almost similar type of interactions in the inhibitor binding cavity of MAO−B. Numerous molecular simulation reports were supported by the above mentioned fact. The current review focus on the last ten year molecular dynamics report of chalcones, coumarins and chromones towards MAO−B inhibition. The review also focuses on the software details used in the MD dynamics simulation and the structural requirement from each class of compound for the recognition of MAO−B inhibitory activity.

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Section: Molecular Dynamic Study Of Chalcones Coumarins and Chromones...mentioning

confidence: 99%

Section: Study Of Coumarinsmentioning

confidence: 99%

A Comprehensive Review of The Molecular Dynamic Study Of Chalcones, Coumarins and Chromones as Selective MAO‐B Inhibitors [2015‐Till Date]

Rachel Thomas,

Chandran,

Thomas Parambi

et al. 2024

ChemistrySelect

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show abstract

Design, synthesis and biological evaluation of novel benzocoumarin derivatives as potent inhibitors of MAO-B activity

Meletli,

Gündüz,

Alparslan

et al. 2024

Bioorganic & Medicinal Chemistry Letters

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Investigation of the Interaction of Monoamine Oxidase (MAO) Inhibitor Biscoumarins with Hemoglobin and Albumin Using Multi-Spectroscopic Techniques and Molecular Docking

Mutafoğlu,

Meletli,

Danış

2024

Analytical Letters

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In vitro and in silico investigation of inhibitory activities of 3-arylcoumarins and 3-phenylazo-4-hydroxycoumarin on MAO isoenzymes

Cited by 4 publications

References 86 publications

A Comprehensive Review of The Molecular Dynamic Study Of Chalcones, Coumarins and Chromones as Selective MAO‐B Inhibitors [2015‐Till Date]

A Comprehensive Review of The Molecular Dynamic Study Of Chalcones, Coumarins and Chromones as Selective MAO‐B Inhibitors [2015‐Till Date]

Design, synthesis and biological evaluation of novel benzocoumarin derivatives as potent inhibitors of MAO-B activity

Investigation of the Interaction of Monoamine Oxidase (MAO) Inhibitor Biscoumarins with Hemoglobin and Albumin Using Multi-Spectroscopic Techniques and Molecular Docking

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