Iain M McLay : rechercher sur Z-Library

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1

GRid-INdependent Descriptors (GRIND): A Novel Class of Alignment-Independent Three-Dimensional Molecular Descriptors

Pastor, Manuel, Cruciani, Gabriele, McLay, Iain, Pickett, Stephen, Clementi, Sergio

Journal:

Journal of Medicinal Chemistry

Année:

2000

Langue:

english

Fichier:

PDF, 234 KB

english, 2000

2

ChemInform Abstract: RPR203494 a Pyrimidine Analogue of the p38 Inhibitor RPR200765A with an Improved in vitro Potency.

Alan J. Collis, Martyn L. Foster, Frank Halley, Christopher Maslen, Iain M. McLay, Kenneth M. Page, E. Jane Redford, John E. Souness, Nicola E. Wilsher

Journal:

Année:

2001

Fichier:

PDF, 32 KB

2001

3

Toward an ab initio fragment database for bioisosterism: Dependence of QCT properties on level of theory, conformation, and chemical environment

Michael Devereux, Paul L. A. Popelier, Iain M. McLay

Journal:

Journal of Computational Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 1.71 MB

english, 2009

4

The first X-ray crystal structure of the glucocorticoid receptor bound to a non-steroidal agonist

Kevin P. Madauss, Randy K. Bledsoe, Iain Mclay, Eugene L. Stewart, Iain J. Uings, Gordon Weingarten, Shawn P. Williams

Journal:

Bioorganic & Medicinal Chemistry Letters

Année:

2008

Langue:

english

Fichier:

PDF, 427 KB

english, 2008

5

Aryl aminopyrazole benzamides as oral non-steroidal selective glucocorticoid receptor agonists

Heather A. Barnett, Diane M. Coe, Tony W.J. Cooper, Torquil I. Jack, Haydn T. Jones, Simon J.F. Macdonald, Iain M. McLay, Natalie Rayner, Rosemary Z. Sasse, Tracy J. Shipley, Phil A. Skone, Graham I.

Journal:

Bioorganic & Medicinal Chemistry Letters

Année:

2009

Langue:

english

Fichier:

PDF, 263 KB

english, 2009

6

RPR203494 a pyrimidine analogue of the p38 inhibitor RPR200765A with an improved in vitro potency

Alan J Collis, Martyn L Foster, Frank Halley, Christopher Maslen, Iain M McLay, Kenneth M Page, E.Jane Redford, John E Souness, Nicola E Wilsher

Journal:

Bioorganic & Medicinal Chemistry Letters

Année:

2001

Langue:

english

Fichier:

PDF, 130 KB

english, 2001

7

New non peptidic C5a receptor antagonists

Peter C. Astles, Thomas J. Brown, Paul Cox, Frank Halley, Peter M. Lockey, Clive McCarthy, Iain M. McLay, Tahir N. Majid, Andrew D. Morley, Barry Porter, Andrew J. Ratcliffe, Roger J.A. Walsh

Journal:

Bioorganic & Medicinal Chemistry Letters

Année:

1997

Langue:

english

Fichier:

PDF, 318 KB

english, 1997

8

Identification of a non peptidic RANTES antagonist

Colin Bright, Thomas J. Brown, Paul Cox, Frank Halley, Peter Lockey, Iain M. McLay, Una Moore, Barry Porter, Robert J. Williams

Journal:

Bioorganic & Medicinal Chemistry Letters

Année:

1998

Langue:

english

Fichier:

PDF, 200 KB

english, 1998

9

The discovery of RPR 200765A, a p38 MAP kinase inhibitor displaying a good oral anti-arthritic efficacy

Iain M. McLay, Frank Halley, John E. Souness, Jeffrey McKenna, Veronique Benning, Mark Birrell, Brenda Burton, Maria Belvisi, Alan Collis, Alex Constan, Martyn Foster, David Hele, Zaid Jayyosi, Mike K

Journal:

Bioorganic & Medicinal Chemistry

Année:

2001

Langue:

english

Fichier:

PDF, 744 KB

english, 2001

10

Modeling the pore structure of voltage-gated sodium channels in closed, open, and fast-inactivated conformation reveals details of site 1 toxin and local anesthetic binding

Holger Scheib, Iain McLay, Nicolas Guex, Jeff J. Clare, Frank E. Blaney, Tim J. Dale, Simon N. Tate, Graeme M. Robertson

Journal:

Journal of Molecular Modeling

Année:

2006

Langue:

english

Fichier:

PDF, 339 KB

english, 2006

11

Knowledge-Based Interaction Fingerprint Scoring: A Simple Method for Improving the Effectiveness of Fast Scoring Functions

Mpamhanga, Chidochangu P., Chen, Beining, McLay, Iain M., Willett, Peter

Journal:

Journal of Chemical Information and Modeling

Année:

2006

Langue:

english

Fichier:

PDF, 590 KB

english, 2006

12

Should medicinal chemists do molecular modelling?

Timothy J. Ritchie, Iain M. McLay

Journal:

Drug Discovery Today

Année:

2012

Langue:

english

Fichier:

PDF, 229 KB

english, 2012

13

Methods and principles in medicinal chemistry (Volume 2): Chemometric methods in molecular design: edited by Han van der Waterbeemd, VCH, 1995. DM 198 (xix + 359 pages) ISBN 3 527 30044 9

Journal:

Drug Discovery Today

Année:

1996

Langue:

english

Fichier:

PDF, 257 KB

english, 1996

14

Retrospective Docking Study of PDE4B Ligands and an Analysis of the Behavior of Selected Scoring Functions

Mpamhanga, Chidochangu P., Chen, Beining, McLay, Iain M., Ormsby, Daniel L., Lindvall, Mika K.

Journal:

Journal of Chemical Information and Modeling

Année:

2005

Langue:

english

Fichier:

PDF, 569 KB

english, 2005

15

Synthesis and biological activity of trans-(.+-.)-N-methyl-2-(3-pyridyl)-2-tetrahydrothiopyrancarbothioamide 1-oxide (RP 49356) and analogs: a new class of potassium channel opener

Brown, Thomas J., Chapman, Robert F., Cook, David C., Hart, Terance W., McLay, Iain M., Jordan, Roy, Mason, Jonathan S., Palfreyman, Malcolm N., Walsh, Roger J. A.

Journal:

Journal of Medicinal Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 1.96 MB

english, 1992

16

Progesterone Receptor Ligand Binding Pocket Flexibility: Crystal Structures of the Norethindrone and Mometasone Furoate Complexes

Madauss, Kevin P., Deng, Su-Jun, Austin, Robert J. H., Lambert, Millard H., McLay, Iain, Pritchard, John, Short, Steven A., Stewart, Eugene L., Uings, Ian J., Williams, Shawn P.

Journal:

Journal of Medicinal Chemistry

Année:

2004

Langue:

english

Fichier:

PDF, 1.69 MB

english, 2004

17

Quantum Isostere Database: A Web-Based Tool Using Quantum Chemical Topology To Predict Bioisosteric Replacements for Drug Design

Devereux, Mike, Popelier, Paul L. A., McLay, Iain M.

Journal:

Journal of Chemical Information and Modeling

Année:

2009

Langue:

english

Fichier:

PDF, 4.32 MB

english, 2009

18

X-ray Crystal Structure of the Novel Enhanced-Affinity Glucocorticoid Agonist Fluticasone Furoate in the Glucocorticoid Receptor−Ligand Binding Domain ⊥

Biggadike, Keith, Bledsoe, Randy K., Hassell, Anne M., Kirk, Barrie E., McLay, Iain M., Shewchuk, Lisa M., Stewart, Eugene L.

Journal:

Journal of Medicinal Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 1.43 MB

english, 2008

19

Drug Rings Database with Web Interface. A Tool for Identifying Alternative Chemical Rings in Lead Discovery Programs

Lewell, Xiao Qing, Jones, Andrew C., Bruce, Craig L., Harper, Gavin, Jones, Matthew M., Mclay, Iain M., Bradshaw, John

Journal:

Journal of Medicinal Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 1.17 MB

english, 2003

20

Selective ET A Antagonists. 5. Discovery and Structure−Activity Relationships of Phenoxyphenylacetic Acid Derivatives

Astles, Peter C., Brown, Thomas J., Halley, Frank, Handscombe, Caroline M., Harris, Neil V., Majid, Tahir N., McCarthy, Clive, McLay, Iain M., Morley, Andrew, Porter, Barry, Roach, Alan G., Sargent, C

Journal:

Journal of Medicinal Chemistry

Année:

2000

Langue:

english

Fichier:

PDF, 294 KB

english, 2000

21

Selective Endothelin A Receptor Antagonists. 3. Discovery and Structure−Activity Relationships of a Series of 4-Phenoxybutanoic Acid Derivatives

Astles, Peter C., Brealey, Clive, Brown, Thomas J., Facchini, Vincenzo, Handscombe, Caroline, Harris, Neil V., McCarthy, Clive, McLay, Iain M., Porter, Barry, Roach, Alan G., Sargent, Carol, Smith, Ch

Journal:

Journal of Medicinal Chemistry

Année:

1998

Langue:

english

Fichier:

PDF, 362 KB

english, 1998

22

Selective Endothelin A Receptor Antagonists. 4. Discovery and Structure−Activity Relationships of Stilbene Acid and Alcohol Derivatives 1-3

Astles, Peter C., Brown, Thomas J., Halley, Frank, Handscombe, Caroline M., Harris, Neil V., McCarthy, Clive, McLay, Iain M., Lockey, Peter, Majid, Tahir, Porter, Barry, Roach, Alan G., Smith, Christo

Journal:

Journal of Medicinal Chemistry

Année:

1998

Langue:

english

Fichier:

PDF, 132 KB

english, 1998

23

Analysis of Neighborhood Behavior in Lead Optimization and Array Design

Papadatos, George, Cooper, Anthony W. J., Kadirkamanathan, Visakan, Macdonald, Simon J. F., McLay, Iain M., Pickett, Stephen D., Pritchard, John M., Willett, Peter, Gillet, Valerie J.

Journal:

Journal of Chemical Information and Modeling

Année:

2009

Langue:

english

Fichier:

PDF, 4.90 MB

english, 2009

24

An Algorithm-Directed Two-Component Library Synthesized Via Solid-Phase Methodology Yielding Potent and Orally Bioavailable p38 MAP Kinase Inhibitors

McKenna, Jeffrey M., Halley, Frank, Souness, John E., McLay, Iain M., Pickett, Stephen D., Collis, Alan J., Page, Kenneth, Ahmed, Imtiaz

Journal:

Journal of Medicinal Chemistry

Année:

2002

Langue:

english

Fichier:

PDF, 178 KB

english, 2002

25

A refined model for prediction of hydrogen bond acidity and basicity parameters from quantum chemical molecular descriptors

Devereux, Mike, Popelier, Paul L. A., McLay, Iain M.

Journal:

Physical Chemistry Chemical Physics

Année:

2009

Langue:

english

Fichier:

PDF, 826 KB

english, 2009