TRESADERN, GARY: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

1

Dihydrothiazolopyridone Derivatives as a Novel Family of Positive Allosteric Modulators of the Metabotropic Glutamate 5 (mGlu 5 ) Receptor

Bartolomé-Nebreda, José Manuel, Conde-Ceide, Susana, Delgado, Francisca, Iturrino, Laura, Pastor, Joaquín, Pena, Miguel Ángel, Trabanco, Andrés A., Tresadern, Gary, Wassvik, Carola M., Stauffer, Shaun

Journal:

Journal of Medicinal Chemistry

Year:

2013

Language:

english

File:

PDF, 1.35 MB

english, 2013

2

Discovery of 8-Trifluoromethyl-3-cyclopropylmethyl-7-[(4-(2,4-difluorophenyl)-1-piperazinyl)methyl]-1,2,4-triazolo[4,3-a]pyridine (JNJ-46356479), a Selective and Orally Bioavailable mGlu2 receptor Positive Allosteric Modulator (PAM)

Cid, José María, Tresadern, Gary, Vega, Juan Antonio, de Lucas, Ana Isabel, del Cerro, Alcira, Matesanz, Encarnación, Linares, María Lourdes, García, Aránzazu, Iturrino, Laura, Pérez-Benito, Laura, Ma

Journal:

Journal of Medicinal Chemistry

Year:

2016

Language:

english

File:

PDF, 1.04 MB

english, 2016

3

Predicting Binding Free Energies of PDE2 Inhibitors. The Difficulties of Protein Conformation

Pérez-Benito, Laura, Keränen, Henrik, van Vlijmen, Herman, Tresadern, Gary

Journal:

Scientific Reports

Year:

2018

Language:

english

File:

PDF, 3.11 MB

english, 2018

4

Molecular properties affecting fast dissociation from the D2 receptor

Gary Tresadern, Jose Manuel Bartolome, Gregor J. Macdonald, Xavier Langlois

Journal:

Bioorganic & Medicinal Chemistry

Year:

2011

Language:

english

File:

PDF, 1.62 MB

english, 2011

5

Scaffold hopping from pyridones to imidazo[1,2-a]pyridines. New positive allosteric modulators of metabotropic glutamate 2 receptor

Gary Tresadern, Jose María Cid, Gregor J. Macdonald, Juan Antonio Vega, Ana Isabel de Lucas, Aránzazu García, Encarnación Matesanz, María Lourdes Linares, Daniel Oehlrich, Hilde Lavreysen, Ilse Biesma

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2010

Language:

english

File:

PDF, 1.57 MB

english, 2010

6

A comparison of ligand based virtual screening methods and application to corticotropin releasing factor 1 receptor

Gary Tresadern, Daniele Bemporad, Trevor Howe

Journal:

Journal of Molecular Graphics and Modelling

Year:

2009

Language:

english

File:

PDF, 845 KB

english, 2009

7

Calculations of hydrogen tunnelling and enzyme catalysis: a comparison of liver alcohol dehydrogenase, methylamine dehydrogenase and soybean lipoxygenase

Gary Tresadern, Jonathan P McNamara, Matthias Mohr, Hong Wang, Neil A Burton, Ian H Hillier

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 200 KB

english, 2002

8

The facile decomposition of chlorine nitrate in small water clusters

Jonathan P McNamara, Gary Tresadern, Ian H Hillier

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 209 KB

english, 1999

9

Product ion mobility as a promising tool for assignment of positional isomers of drug metabolites

Filip Cuyckens, Carola Wassvik, Russell J. Mortishire-Smith, Gary Tresadern, Iain Campuzano, Jan Claereboudt

Journal:

Rapid Communications in Mass Spectrometry

Year:

2011

Language:

english

File:

PDF, 934 KB

english, 2011

10

Recent advances in quantum mechanical/molecular mechanical calculations of enzyme catalysis: hydrogen tunnelling in liver alcohol dehydrogenase and inhibition of elastase by α-ketoheterocycles

Gary Tresadern, Paul F. Faulder, M. Paul Gleeson, Zubeir Tai, Grant MacKenzie, Neil A. Burton, Ian H. Hillier

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2003

Language:

english

File:

PDF, 596 KB

english, 2003

11

Rational design and synthesis of aminopiperazinones as β-secretase (BACE) inhibitors

Gary Tresadern, Francisca Delgado, Oscar Delgado, Harrie Gijsen, Gregor J. Macdonald, Dieder Moechars, Frederik Rombouts, Richard Alexander, John Spurlino, Michiel Van Gool, Juan Antonio Vega, Andrés

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 716 KB

english, 2011

12

Design and Synthesis of a Novel Series of Bicyclic Heterocycles As Potent γ-Secretase Modulators

Bischoff, Francois, Berthelot, Didier, De Cleyn, Michel, Macdonald, Gregor, Minne, Garrett, Oehlrich, Daniel, Pieters, Serge, Surkyn, Michel, Trabanco, Andrés A., Tresadern, Gary, Van Brandt, Sven, Ve

Journal:

Journal of Medicinal Chemistry

Year:

2012

Language:

english

File:

PDF, 2.17 MB

english, 2012

13

Recognizing Pitfalls in Virtual Screening: A Critical Review

Scior, Thomas, Bender, Andreas, Tresadern, Gary, Medina-Franco, José L., Martínez-Mayorga, Karina, Langer, Thierry, Cuanalo-Contreras, Karina, Agrafiotis, Dimitris K.

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 634 KB

english, 2012

14

Discovery of 1,4-Disubstituted 3-Cyano-2-pyridones: A New Class of Positive Allosteric Modulators of the Metabotropic Glutamate 2 Receptor

Cid, Jose María, Duvey, Guillaume, Tresadern, Gary, Nhem, Vanthea, Furnari, Rocco, Cluzeau, Philippe, Vega, Juan Antonio, de Lucas, Ana Isabel, Matesanz, Encarnación, Alonso, José Manuel, Linares, Mar

Journal:

Journal of Medicinal Chemistry

Year:

2012

Language:

english

File:

PDF, 1.55 MB

english, 2012

15

Modeling approaches for ligand-based 3D similarity

Tresadern, Gary, Bemporad, Daniele

Journal:

Future Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 1.77 MB

english, 2010

16

Discovery of 3-Cyclopropylmethyl-7-(4-phenylpiperidin-1-yl)-8-trifluoromethyl[1,2,4]triazolo[4,3- a ]pyridine (JNJ-42153605): A Positive Allosteric Modulator of the Metabotropic Glutamate 2 Receptor

Cid, Jose María, Tresadern, Gary, Vega, Juan Antonio, de Lucas, Ana Isabel, Matesanz, Encarnación, Iturrino, Laura, Linares, María Lourdes, Garcia, Aránzazu, Andrés, José Ignacio, Macdonald, Gregor J.

Journal:

Journal of Medicinal Chemistry

Year:

2012

Language:

english

File:

PDF, 2.20 MB

english, 2012

17

The Prokaryote Ligand-Gated Ion Channel Elic Captured in a Pore Blocker-Bound Conformation by the Alzheimer's Disease Drug Memantine

Ulens, Chris, Spurny, Radovan, Thompson, Andrew J., Alqazzaz, Mona, Debaveye, Sarah, Lu, Han, Price, Kerry, Villalgordo, Jose M., Tresadern, Gary, Tresadern, Gary, Lynch, Joseph W., Lynch, Joseph W.,

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 45 KB

english, 2014

18

QSAR design of triazolopyridine mGlu2 receptor positive allosteric modulators

Tresadern, Gary, Cid, José-Maria, Trabanco, Andrés A.

Journal:

Journal of Molecular Graphics and Modelling

Year:

2014

Language:

english

File:

PDF, 2.01 MB

english, 2014

19

Imidazo[1,2- a ]pyridines: Orally Active Positive Allosteric Modulators of the Metabotropic Glutamate 2 Receptor

Trabanco, Andrés A., Tresadern, Gary, Macdonald, Gregor J., Vega, Juan Antonio, de Lucas, Ana Isabel, Matesanz, Encarnación, García, Aránzazu, Linares, María Lourdes, Alonso de Diego, Sergio A., Alons

Journal:

Journal of Medicinal Chemistry

Year:

2012

Language:

english

File:

PDF, 1.55 MB

english, 2012

20

Conformational Sampling with Stochastic Proximity Embedding and Self-Organizing Superimposition: Establishing Reasonable Parameters for Their Practical Use

Tresadern, Gary, Agrafiotis, Dimitris K.

Journal:

Journal of Chemical Information and Modeling

Year:

2009

Language:

english

File:

PDF, 2.75 MB

english, 2009

21

Discovery of 1-Butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-(1 H )-pyridone (JNJ-40411813): A Novel Positive Allosteric Modulator of the Metabotropic Glutamate 2 Receptor

Cid, José María, Tresadern, Gary, Duvey, Guillaume, Lütjens, Robert, Finn, Terry, Rocher, Jean-Philippe, Poli, Sonia, Vega, Juan Antonio, de Lucas, Ana Isabel, Matesanz, Encarnación, Linares, María Lo

Journal:

Journal of Medicinal Chemistry

Year:

2014

Language:

english

File:

PDF, 1.35 MB

english, 2014

22

The Prokaryote Ligand-Gated Ion Channel ELIC Captured in a Pore Blocker-Bound Conformation by the Alzheimer’s Disease Drug Memantine

Ulens, Chris, Spurny, Radovan, Thompson, Andrew J., Alqazzaz, Mona, Debaveye, Sarah, Han, Lu, Price, Kerry, Villalgordo, Jose M., Tresadern, Gary, Lynch, Joseph W., Lummis, Sarah C.R.

Journal:

Year:

2014

Language:

english

File:

PDF, 2.02 MB

english, 2014

23

Exploration of the Mechanism of the Activation of ClONO 2 by HCl in Small Water Clusters Using Electronic Structure Methods

McNamara, Jonathan P., Tresadern, Gary, Hillier, Ian H.

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 342 KB

english, 2000

24

Structure-Based Design of a Potent, Selective, and Brain Penetrating PDE2 Inhibitor with Demonstrated Target Engagement

Buijnsters, Peter, De Angelis, Meri, Langlois, Xavier, Rombouts, Frederik J. R., Sanderson, Wendy, Tresadern, Gary, Ritchie, Alison, Trabanco, Andrés A., VanHoof, Greet, Roosbroeck, Yves Van, Andrés,

Journal:

ACS Medicinal Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 372 KB

english, 2014

25

QM/MM Studies Show Substantial Tunneling for the Hydrogen-Transfer Reaction in Methylamine Dehydrogenase

Faulder, Paul F., Tresadern, Gary, Chohan, Kamaldeep K., Scrutton, Nigel S., Sutcliffe, Michael J., Hillier, Ian H., Burton, Neil A.

Journal:

Journal of the American Chemical Society

Year:

2001

Language:

english

File:

PDF, 44 KB

english, 2001

26

Hydride shift in substituted phenyl glyoxals: Interpretation of experimental rate data using electronic structure and variational transition state theory calculations

Tresadern, Gary, Willis, Julie, Hillier, Ian H., Ian F. Watt, C.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 132 KB

english, 2001

27

Direct dynamics calculations of reaction rate and kinetic isotope effects in enzyme catalysed reactions

Tresadern, Gary, Nunez, Sara, Faulder, Paul F., Wang, Hong, Hillier, Ian H., Burton, Neil A.

Journal:

Faraday Discussions

Year:

2003

Language:

english

File:

PDF, 520 KB

english, 2003

28

Extreme tunnelling in methylamine dehydrogenase revealed by hybrid QM/MM calculations: potential energy surface profile for methylamine and ethanolamine substrates and kinetic isotope effect values

TRESADERN, GARY, WANG, HONG, FAULDER, PAUL F., BURTON, NEIL A., HILLIER, IAN H.

Journal:

Molecular Physics

Year:

2003

Language:

english

File:

PDF, 916 KB

english, 2003

29

Extending kinome coverage by analysis of kinase inhibitor broad profiling data

Jacoby, Edgar, Tresadern, Gary, Bembenek, Scott, Wroblowski, Berthold, Buyck, Christophe, Neefs, Jean-Marc, Rassokhin, Dmitrii, Poncelet, Alain, Hunt, Jeremy, van Vlijmen, Herman

Journal:

Drug Discovery Today

Year:

2015

Language:

english

File:

PDF, 1.24 MB

english, 2015

30

Pyrido[4,3- e ][1,2,4]triazolo[4,3- a ]pyrazines as Selective, Brain Penetrant Phosphodiesterase 2 (PDE2) Inhibitors

Rombouts, Frederik J. R., Tresadern, Gary, Buijnsters, Peter, Langlois, Xavier, Tovar, Fulgencio, Steinbrecher, Thomas B., Vanhoof, Greet, Somers, Marijke, Andrés, José-Ignacio, Trabanco, Andrés A.

Journal:

ACS Medicinal Chemistry Letters

Year:

2015

Language:

english

File:

PDF, 1.29 MB

english, 2015

31

Molecular blueprint of allosteric binding sites in a homologue of the agonist-binding domain of the α7 nicotinic acetylcholine receptor

Spurny, Radovan, Debaveye, Sarah, Farinha, Ana, Veys, Ken, Vos, Ann M., Gossas, Thomas, Atack, John, Bertrand, Sonia, Bertrand, Daniel, Danielson, U. Helena, Tresadern, Gary, Ulens, Chris

Journal:

Proceedings of the National Academy of Sciences

Year:

2015

Language:

english

File:

PDF, 2.85 MB

english, 2015

32

1,4-Oxazine β-secretase (BACE1) inhibitors: from hit generation to orally bioavailable brain penetrant leads.

Rombouts, Frederik J.R., Tresadern, Gary, Delgado, Óscar, Martinez Lamenca, Carolina, Van Gool, Michiel, García-Molina, Aránzazu, Alonso De Diego, Sergio A., Oehlrich, Daniel, Prokopcova, Hana, Alonso

Journal:

Journal of Medicinal Chemistry

Year:

2015

Language:

english

File:

PDF, 4.42 MB

english, 2015

33

Benzazaborinines as Novel Bioisosteric Replacements of Naphthalene: Propranolol as an Example

Rombouts, Frederik J. R., Tovar, Fulgencio, Austin, Nigel, Tresadern, Gary, Trabanco, Andrés A.

Journal:

Journal of Medicinal Chemistry

Year:

2015

Language:

english

File:

PDF, 1.21 MB

english, 2015

34

Cover Picture: A Versatile Approach to CF 3 -Containing 2-Pyrrolidones by Tandem Michael Addition-Cyclization: Exemplification in the Synthesis of Amidine Class BACE1 Inhibitors (Chem. Eur. J. 33/2015)

Mateu, Natalia, Ciordia, Myriam, Delgado, Oscar, Sánchez-Roselló, María, Trabanco, Andrés A., Van Gool, Michiel, Tresadern, Gary, Pérez-Benito, Laura, Fustero, Santos

Journal:

Chemistry - A European Journal

Year:

2015

File:

PDF, 439 KB

2015

35

A Versatile Approach to CF 3 -Containing 2-Pyrrolidones by Tandem Michael Addition-Cyclization: Exemplification in the Synthesis of Amidine Class BACE1 Inhibitors

Mateu, Natalia, Ciordia, Myriam, Delgado, Oscar, Sánchez-Roselló, María, Trabanco, Andrés A., Van Gool, Michiel, Tresadern, Gary, Pérez-Benito, Laura, Fustero, Santos

Journal:

Chemistry - A European Journal

Year:

2015

Language:

english

File:

PDF, 1.16 MB

english, 2015

36

A Versatile Approach to CF 3 -Containing 2-Pyrrolidones by Tandem Michael Addition-Cyclization: Exemplification in the Synthesis of Amidine Class BACE1 Inhibitors

Mateu, Natalia, Ciordia, Myriam, Delgado, Oscar, Sánchez-Roselló, María, Trabanco, Andrés A., Van Gool, Michiel, Tresadern, Gary, Pérez-Benito, Laura, Fustero, Santos

Journal:

Chemistry - A European Journal

Year:

2015

Language:

english

File:

PDF, 2.18 MB

english, 2015

37

ChemInform Abstract: A Versatile Approach to CF 3 -Containing 2-Pyrrolidones by Tandem Michael Addition-Cyclization: Exemplification in the Synthesis of Amidine Class BACE1 Inhibitors.

Mateu, Natalia, Ciordia, Myriam, Delgado, Oscar, Sanchez-Rosello, Maria, Trabanco, Andres A., Van Gool, Michiel, Tresadern, Gary, Perez-Benito, Laura, Fustero, Santos

Journal:

Year:

2015

File:

PDF, 27 KB

2015

38

Molecular mechanism of positive allosteric modulation of the metabotropic glutamate receptor 2 by JNJ-46281222

Doornbos, Maarten L J, Pérez-Benito, Laura, Tresadern, Gary, Mulder-Krieger, Thea, Biesmans, Ilse, Trabanco, Andrés A, Cid, Jose María, Lavreysen, Hilde, IJzerman, Adriaan P, Heitman, Laura H

Journal:

British Journal of Pharmacology

Year:

2016

Language:

english

File:

PDF, 1.52 MB

english, 2016

39

Application of Free Energy Perturbation for the Design of BACE1 Inhibitors

Ciordia, Myriam, Pérez-Benito, Laura, Delgado, Francisca, Trabanco, Andrés A., Tresadern, Gary

Journal:

Journal of Chemical Information and Modeling

Year:

2016

Language:

english

File:

PDF, 1.87 MB

english, 2016

40

Quantum Catalysis in Enzymes: Beyond the Transition State Theory || An Analysis of Reaction Pathways for Proton Tunnelling in Methylamine Dehydrogenase

Sara Nuñez, Gary Tresadern, Ian H. Hillier and Neil A. Burton

Journal:

Philosophical Transactions Biological Sciences

Year:

2006

Language:

english

File:

PDF, 2.93 MB

english, 2006

41

Multibody cofactor and substrate molecular recognition in the myo-inositol monophosphatase enzyme

Ferruz, Noelia, Tresadern, Gary, Pineda-Lucena, Antonio, De Fabritiis, Gianni

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 1.21 MB

english, 2016

42

Acylguanidine Beta Secretase 1 Inhibitors: A Combined Experimental and Free Energy Perturbation Study

Keränen, Henrik, Pérez-Benito, Laura, Ciordia, Myriam, Delgado, Francisca, Steinbrecher, Thomas B., Oehlrich, Daniel, van Vlijmen, Herman W. T., Trabanco, Andrés A., Tresadern, Gary

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 5.42 MB

english, 2017

43

Molecular Switches of Allosteric Modulation of the Metabotropic Glutamate 2 Receptor

Pérez-Benito, Laura, Doornbos, Maarten L.J., Cordomí, Arnau, Peeters, Luc, Lavreysen, Hilde, Pardo, Leonardo, Tresadern, Gary

Journal:

Year:

2017

Language:

english

File:

PDF, 2.87 MB

english, 2017

44

Industrial medicinal chemistry insights: neuroscience hit generation at Janssen

Tresadern, Gary, Rombouts, Frederik J.R., Oehlrich, Daniel, Macdonald, Gregor, Trabanco, Andres A.

Journal:

Drug Discovery Today

Year:

2017

Language:

english

File:

PDF, 824 KB

english, 2017

45

Identification of Allosteric Modulators of Metabotropic Glutamate 7 Receptor Using Proteochemometric Modeling

Tresadern, Gary, Trabanco, Andrés A., Pérez-Benito, Laura, Overington, John P., Van Vlijmen, Herman W. T., van Westen, Gerard J.P.

Journal:

Journal of Chemical Information and Modeling

Year:

2017

Language:

english

File:

PDF, 1.88 MB

english, 2017

46

A covalent allosteric probe for the metabotropic glutamate receptor 2: Design, synthesis and pharmacological characterization

Doornbos, Maarten L.J., Wang, Xuesong, Vermond, Sophie C., Peeters, Luc, Pérez-Benito, Laura, Trabanco, Andrés A., Lavreysen, Hilde, Cid, José María, Heitman, Laura H., Tresadern, Gary, IJzerman, Adri

Journal:

Journal of Medicinal Chemistry

Year:

2018

Language:

english

File:

PDF, 1.19 MB

english, 2018

47

Constitutive activity of the metabotropic glutamate receptor 2 explored with a whole-cell label-free biosensor

Doornbos, Maarten L.J., Van der Linden, Ilse, Vereyken, Liesbeth, Tresadern, Gary, IJzerman, Adriaan P., Lavreysen, Hilde, Heitman, Laura H.

Journal:

Biochemical Pharmacology

Year:

2018

Language:

english

File:

PDF, 1.52 MB

english, 2018

48

Selective inhibition of intestinal guanosine 3’,5’-cyclic monophosphate signaling by small-molecule protein kinase inhibitors

Bijvelds, Marcel J.C., Tresadern, Gary, Hellemans, Ann, Smans, Karine, Nieuwenhuijze, Natascha D.A., Meijsen, Kelly F., Bongartz, Jean-Pierre, Ver Donck, Luc, de Jonge, Hugo R., Schuurkes, Jan A.J., D

Journal:

Journal of Biological Chemistry

Year:

2018

Language:

english

File:

PDF, 601 KB

english, 2018

49

The Size Matters? A Computational Tool to Design Bivalent Ligands

Pérez-Benito, Laura, Henry, Andrew, Matsoukas, Minos-Timotheos, Lopez, Laura, Pulido, Daniel, Royo, Miriam, Cordomí, Arnau, Tresadern, Gary, Pardo, Leonardo

Journal:

Year:

2018

Language:

english

File:

PDF, 654 KB

english, 2018

50

Impact of allosteric modulation: Exploring the binding kinetics of glutamate and other orthosteric ligands of the metabotropic glutamate receptor 2

Doornbos, Maarten L.J., Vermond, Sophie C., Lavreysen, Hilde, Tresadern, Gary, IJzerman, Adriaan P., Heitman, Laura H.

Journal:

Biochemical Pharmacology

Year:

2018

Language:

english

File:

PDF, 1.70 MB

english, 2018