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

被引：0

作者：

Meletli, Furkan ^{[1
]}

Gunduz, Cihan ^{[2
]}

Alparslan, Mustafa Muhlis ^{[3
]}

Attar, Azade ^{[4
]}

Demir, Serap ^{[1
]}

Iskit, Ece ^{[1
]}

Danis, Ozkan ^{[1
]}

机构：

[1] Marmara Univ, Fac Sci, Dept Chem, Istanbul, Turkiye

[2] Pace Univ, Dept Chem & Biochem, New York, NY USA

[3] Biruni Univ, Fac Med, Dept Med Biochem, Istanbul, Turkiye

[4] Yildiz Tech Univ, Fac Chem & Met Engn, Dept Bioengn, Istanbul, Turkiye

来源：

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 2024年 / 113卷

关键词：

Benzo[g]coumarin; Benzo[h]coumarin; Monoamine oxidase; Parkinson's Disease; Molecular docking; 3-PHENYLCOUMARINS; 3-ARYLCOUMARINS; COUMARINS; DOCKING; SERIES;

D O I：

10.1016/j.bmcl.2024.129984

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

The continued research of novel reversible inhibitors targeting monoamine oxidase (MAO) B remains crucial for effectively symptomatic treatment of Parkinson's disease. In this study we synthesized and evaluated a new series of 3-aryl benzo[g] and benzo[h] coumarin derivatives as MAO-B inhibitors. Compound A6 has been found to display the most potent inhibitory activity and selectivity against the MAO-B isoform (IC50 = 13 nM and SI = >7693.31 respectively). Inhibition mode of A6 on MAO-B was predicted as mixed reversible inhibition with a Ki value of 3.274 nM. Furthermore, in order to elaborate structure-activity relationships, the binding mode of A6 was investigated by molecular docking simulations.

引用

页数：7

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