Indoles and 1-(3-(benzyloxy)benzyl)piperazines: reversible and selective monoamine oxidase B inhibitors identified by screening an in-house compound library

2021 ◽  
pp. 105581
Author(s):  
Damijan Knez ◽  
Martina Hrast ◽  
Rok Frlan ◽  
Anja Pišlar ◽  
Simon Žakelj ◽  
...  
Keyword(s):  
Monoamine Oxidase ◽  
Monoamine Oxidase B ◽  
Compound Library

Ligand-Based Virtual Screening Using Tailored Ensembles: A Prioritization Tool for Dual A2A Adenosine Receptor Antagonists / Monoamine Oxidase B Inhibitors

2016 ◽  
Vol 22 (21) ◽  
pp. 3082-3096 ◽  
Author(s):  
Aliuska Morales Helguera ◽  
Yunierkis Perez-Castillo ◽  
M. Natália D.S. Cordeiro ◽  
Eduardo Tejera ◽  
César Paz-y-Miño ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Monoamine Oxidase ◽  
Adenosine Receptor ◽  
Monoamine Oxidase B ◽  
Receptor Antagonists ◽  
A2a Adenosine Receptor

scholarly journals Binding mechanism of naringenin with monoamine oxidase – B enzyme: QM/MM and molecular dynamics perspective

Heliyon ◽  
2021 ◽  
Vol 7 (4) ◽  
pp. e06684
Author(s):  
Hunday Govindasamy ◽  
Sivanandam Magudeeswaran ◽  
Saravanan Kandasamy ◽  
Kumaradhas Poomani
Keyword(s):  
Molecular Dynamics ◽  
Monoamine Oxidase ◽  
Monoamine Oxidase B ◽  
Binding Mechanism

scholarly journals 4-Phenethyl-1-Propargylpiperidine-Derived Dual Inhibitors of Butyrylcholinesterase and Monoamine Oxidase B

Molecules ◽  
2021 ◽  
Vol 26 (14) ◽  
pp. 4118
Author(s):  
Tjaša Mazej ◽  
Damijan Knez ◽  
Anže Meden ◽  
Stanislav Gobec ◽  
Matej Sova
Keyword(s):  
Monoamine Oxidase ◽  
Docking Studies ◽  
Monoamine Oxidase B ◽  
Mao B ◽  
Initial Expectation ◽  
Excellent Starting Point ◽  
Starting Point ◽  
Dependent Inhibition ◽  
Dual Inhibitors ◽  
Time Dependent Inhibition

The multi-target-directed ligands (MTDLs) strategy is encouraged for the development of novel modulators targeting multiple pathways in the neurodegenerative cascade typical for Alzheimer’s disease (AD). Based on the structure of an in-house irreversible monoamine oxidase B (MAO-B) inhibitor, we aimed to introduce a carbamate moiety on the aromatic ring to impart cholinesterase (ChE) inhibition, and to furnish multifunctional ligands targeting two enzymes that are intricately involved in AD pathobiology. In this study, we synthesized three dual hMAO-B/hBChE inhibitors 13–15, with compound 15 exhibiting balanced, low micromolar inhibition of hMAO-B (IC50 of 4.3 µM) and hBChE (IC50 of 8.5 µM). The docking studies and time-dependent inhibition of hBChE confirmed the initial expectation that the introduced carbamate moiety is responsible for covalent inhibition. Therefore, dual-acting compound 15 represents an excellent starting point for further optimization of balanced MTDLs.

scholarly journals Morpholine-based chalcones as dual-acting monoamine oxidase-B and acetylcholinesterase inhibitors: synthesis and biochemical investigations

2021 ◽  
Vol 36 (1) ◽  
pp. 188-197
Author(s):  
Rani Sasidharan ◽  
Bo Hyun Eom ◽  
Jeong Hyun Heo ◽  
Jong Eun Park ◽  
Mohamed A. Abdelgawad ◽  
...  
Keyword(s):  
Monoamine Oxidase ◽  
Acetylcholinesterase Inhibitors ◽  
Monoamine Oxidase B
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