Zobrazeno 1 - 10
of 228
pro vyhledávání: '"Francesca, Deflorian"'
Autor:
Stacey M. Southall, Joydeep Banerjee, Jason Brown, Kristina Butkovic, Andrew D. Cansfield, Julie E. Cansfield, Miles S. Congreve, Gabriella Cseke, Francesca Deflorian, Martina Petrovic Hunjadi, Antun Hutinec, Trinadh Kumar Inturi, Renata Rupcic, Gordon Saxty, Stephen P. Watson
Publikováno v:
ACS Medicinal Chemistry Letters. 13:1776-1782
The diastereomeric macrocyclic calcitonin generelated peptide (CGRP) antagonists HTL0029881 (3) and HTL0029882 (4), in which the stereochemistry of a spiro center is reversed, surprisingly demonstrate comparable potency. X-ray crystallographic charac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d6056f84865bf327ec61e26bf41ed7b3
https://doi.org/10.1021/acsmedchemlett.2c00400
https://doi.org/10.1021/acsmedchemlett.2c00400
Autor:
Andrew D. Cansfield, Mark A. Ator, Joydeep Banerjee, Michael Bestwick, Andrea Bortolato, Giles A. Brown, Jason Brown, Kristina Butkovic, Julie E. Cansfield, John A. Christopher, Miles Congreve, Gabriella Cseke, Francesca Deflorian, Benjamin Dugan, Martina Petrovic Hunjadi, Antun Hutinec, Trinadh Kumar Inturi, Goran Landek, Jonathan Mason, Alistair O’Brien, Gregory R. Ott, Renata Rupcic, Gordon Saxty, Stacey M. Southall, Rahela Zadravec, Stephen P. Watson
Publikováno v:
ACS Chemical Neuroscience. 13:751-765
A series of macrocyclic calcitonin gene-related peptide (CGRP) receptor antagonists identified using structure-based design principles, exemplified by HTL0028016 (1) and HTL0028125 (2), is described. Structural characterization by X-ray crystallograp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c446db762c3a729f140cd365a9977f1b
https://doi.org/10.1021/acschemneuro.1c00696
https://doi.org/10.1021/acschemneuro.1c00696
Autor:
María Majellaro, Robert M. Cooke, Andrei Zhukov, Andrew S. Doré, Francesca Deflorian, Henrik Keränen, Hugo Gutiérrez-de-Terán, Grégory Verdon, Miles Congreve, Johan Åqvist, Eddy Sotelo, Jhonny Azuaje, Xerardo García-Mera, Chris de Graaf, Willem Jespers, Jonathan S. Mason
Publikováno v:
Angewandte Chemie (International Ed. in English)
Minerva: Repositorio Institucional de la Universidad de Santiago de Compostela
Universidad de Santiago de Compostela (USC)
Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
instname
Minerva: Repositorio Institucional de la Universidad de Santiago de Compostela
Universidad de Santiago de Compostela (USC)
Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
instname
We present a robust protocol based on iterations of free energy perturbation (FEP) calculations, chemical synthesis, biophysical mapping and X‐ray crystallography to reveal the binding mode of an antagonist series to the A2A adenosine receptor (AR)
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1fb82a0e9f21ff3cb50f65224bd63c71
https://doi.org/10.1002/anie.202003788
https://doi.org/10.1002/anie.202003788
Autor:
Gary Tresadern, Herman van Vlijmen, Jonathan S. Mason, Eelke B. Lenselink, Francesca Deflorian, Chris de Graaf, Laura Pérez-Benito, Miles Congreve
Publikováno v:
Journal of Chemical Information and Modeling. 60:5563-5579
The computational prediction of relative binding free energies is a crucial goal for drug discovery, and G protein-coupled receptors (GPCRs) are arguably the most important drug target class. However, they present increased complexity to model compar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bcfaf71e98d0403c4ea3cb62fb061f19
https://doi.org/10.1021/acs.jcim.0c00449
https://doi.org/10.1021/acs.jcim.0c00449
Publikováno v:
Structural Biology in Drug Discovery
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::be3446ad38542d379bf95b339069f873
https://doi.org/10.1002/9781118681121.ch19
https://doi.org/10.1002/9781118681121.ch19
Autor:
Francesca Deflorian, Chris de Graaf, Jonathan S. Mason, Giulio Mattedi, Francesco Luigi Gervasio
Publikováno v:
Journal of Chemical Information and Modeling
Adenosine receptors are involved in many pathological conditions and are thus promising drug targets. However, developing drugs that target this GPCR subfamily is a challenging task. A number of drug candidates fail due to lack of selectivity which r
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7bb6beea5f27b8d60ca8c7a3dee046af
https://doi.org/10.1021/acs.jcim.9b00298
https://doi.org/10.1021/acs.jcim.9b00298
Autor:
Willem Jespers, Grégory Verdon, Jhonny Azuaje, Maria Majellaro, Henrik Keränen, Xerardo García‐Mera, Miles Congreve, Francesca Deflorian, Chris Graaf, Andrei Zhukov, Andrew S. Doré, Jonathan S. Mason, Johan Åqvist, Robert M. Cooke, Eddy Sotelo, Hugo Gutiérrez‐de‐Terán
Publikováno v:
Angewandte Chemie.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5ca146b014e4b7900d50b48810e73eaa
https://doi.org/10.1002/ange.202003788
https://doi.org/10.1002/ange.202003788
Autor:
Sarah J, Bucknell, Mark A, Ator, Alastair J H, Brown, Jason, Brown, Andrew D, Cansfield, Julie E, Cansfield, John A, Christopher, Miles, Congreve, Gabriella, Cseke, Francesca, Deflorian, Christopher R, Jones, Jonathan S, Mason, M Alistair, O'Brien, Gregory R, Ott, Mark, Pickworth, Stacey M, Southall
Publikováno v:
Journal of medicinal chemistry. 63(14)
Structure-based drug design enabled the discovery of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::0fe466b9ae04aa713be834ac63134aab
https://pubmed.ncbi.nlm.nih.gov/32558564
https://pubmed.ncbi.nlm.nih.gov/32558564
Autor:
Andrew S. Doré, James C. Errey, Laura H. Heitman, Adriaan P. IJzerman, Fiona H. Marshall, Elena Segala, Francesca Deflorian, Robert M. Cooke, Dong Guo, Robert K. Y. Cheng, Andrea Bortolato
Publikováno v:
Journal of Medicinal Chemistry, 59(13), 6470-6479
Controlling the Dissociation of Ligands from the Adenosine A2A Receptor through Modulation of Salt Bridge StrengthElena Segala, Dong Guo, Robert K. Y. Cheng, Andrea Bortolato, Francesca Deflorian, Andrew S. Doré, James C. Errey, Laura H. Heitman, Ad
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4ff77c5b8724e7150c17e2cb6d13d200
https://doi.org/10.1021/acs.jmedchem.6b00653
https://doi.org/10.1021/acs.jmedchem.6b00653
Autor:
Davide Sabbadin, Stefano Moro, Giuseppe Deganutti, Andrea Bortolato, Jonathan S. Mason, Francesca Deflorian
Publikováno v:
Biomolecular Simulations in Structure-Based Drug Discovery
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5bf4aed5a5157af533cd51000665ca39
https://doi.org/10.1002/9783527806836.ch9
https://doi.org/10.1002/9783527806836.ch9
