scholarly journals Virtual screening tailored ensembles of QSAR models for the discovery of dual A2A Adenosine Receptor Antagonists / Monoamine Oxidase B Inhibitors

2015 ◽  
Author(s):  
Fernanda Borges ◽  
Maykel Cruz-Monteagudo ◽  
Aliuska Morales-Helguera ◽  
Yunierkis Pérez-Castillo ◽  
M. Natália D. S. Cordeiro ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Monoamine Oxidase ◽  
Adenosine Receptor ◽  
Monoamine Oxidase B ◽  
Receptor Antagonists ◽  
Qsar Models

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

8-Substituted 1,3-dimethyltetrahydropyrazino[2,1- f ]purinediones: Water-soluble adenosine receptor antagonists and monoamine oxidase B inhibitors

2016 ◽  
Vol 24 (21) ◽  
pp. 5462-5480 ◽  
Author(s):  
Andreas Brunschweiger ◽  
Pierre Koch ◽  
Miriam Schlenk ◽  
Muhammad Rafehi ◽  
Hamid Radjainia ◽  
...  
Keyword(s):  
Monoamine Oxidase ◽  
Adenosine Receptor ◽  
Water Soluble ◽  
Monoamine Oxidase B ◽  
Receptor Antagonists

Identifying the structural features and diversifying the chemical domain of peripherally acting CB1 receptor antagonists using molecular modeling techniques

RSC Advances ◽  
2016 ◽  
Vol 6 (2) ◽  
pp. 1466-1483 ◽  
Author(s):  
Mayank Kumar Sharma ◽  
Prashant R. Murumkar ◽  
Guanglin Kuang ◽  
Yun Tang ◽  
Mange Ram Yadav
Keyword(s):  
Molecular Modeling ◽  
Virtual Screening ◽  
3D Qsar ◽  
Structural Features ◽  
Cb1 Receptor ◽  
Receptor Antagonists ◽  
Modeling Techniques ◽  
Qsar Models ◽  
Cb1 Receptor Antagonists

A four featured pharmacophore and predictive 3D-QSAR models were developed which were used for virtual screening of the Asinex database to get chemically diverse hits of peripherally active CB1 receptor antagonists.

Identification of novel monoamine oxidase B inhibitors by structure-based virtual screening

2010 ◽  
Vol 20 (17) ◽  
pp. 5295-5298 ◽  
Author(s):  
Werner J. Geldenhuys ◽  
Altaf S. Darvesh ◽  
Max O. Funk ◽  
Cornelis J. Van der Schyf ◽  
Richard T. Carroll
Keyword(s):  
Virtual Screening ◽  
Monoamine Oxidase ◽  
Monoamine Oxidase B

Inhibition of monoamine oxidase B by selective adenosine A 2A receptor antagonists

2003 ◽  
Vol 11 (7) ◽  
pp. 1299-1310 ◽  
Author(s):  
Jacobus P Petzer ◽  
Salome Steyn ◽  
Kay P Castagnoli ◽  
Jiang-Fan Chen ◽  
Michael A Schwarzschild ◽  
...  
Keyword(s):  
Monoamine Oxidase ◽  
Monoamine Oxidase B ◽  
Receptor Antagonists

The adenosine receptor affinities and monoamine oxidase B inhibitory properties of sulfanylphthalimide analogues

2015 ◽  
Vol 59 ◽  
pp. 117-123 ◽  
Author(s):  
Mietha M. Van der Walt ◽  
Gisella Terre’Blanche ◽  
Anél Petzer ◽  
Jacobus P. Petzer
Keyword(s):  
Monoamine Oxidase ◽  
Adenosine Receptor ◽  
Monoamine Oxidase B
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