Výsledky vyhledávání - "Fiona M. McRobb"

Identification of allosteric binding sites for PI3Kα oncogenic mutant specific inhibitor design

Autor: Sandra B. Gabelli, Kenneth W. Kinzler, S. Maheshwari, L. Mario Amzel, Bert Vogelstein, Fiona M. McRobb, Michelle S. Miller

Publikováno v: Bioorganic & Medicinal Chemistry. 25:1481-1486

PIK3CA , the gene that encodes the catalytic subunit of phosphatidylinositol 3-kinase α (PI3Kα), is frequently mutated in breast and other types of cancer. A specific inhibitor that targets the mutant forms of PI3Kα could maximize treatment effici

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b8e22884764788db22824013d69e3e90
https://doi.org/10.1016/j.bmc.2017.01.012

Zobrazit plný text záznamu

Retraction Note: Orphan receptor ligand discovery by pickpocketing pharmacological neighbors

Autor: R. Peter Riek, Tony Ngo, James L. J. Coleman, Alastair G. Stewart, Irina Kufareva, Fiona M. McRobb, Nicola J. Smith, Andrey V. Ilatovskiy, Ruben Abagyan, Robert M. Graham

Publikováno v: Nat Chem Biol

The ‘CoINPocket’ approach identifies pharmacological similarities between G protein–coupled receptors. On the basis of predicted pharmacological similarity to a few phylogenetically unrelated receptors, the approach identified surrogate ligands

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9f638592c4aabb14cce6f962a409841a
https://doi.org/10.1038/s41589-021-00746-1

Zobrazit plný text záznamu

Predicting Binding Affinities for GPCR Ligands Using Free-Energy Perturbation

Autor: Lingle Wang, Fiona M. McRobb, Joseph E. Goose, Edward Harder, Robert Abel, Thijs Beuming, Eelke B. Lenselink, Jacobus P. D. van Veldhoven, Julien Louvel, Henk de Vries, Anna F. Forti, Thea Mulder-Krieger, Andrea Negri, Herman W. T. van Vlijmen, Adriaan P. IJzerman, Woody Sherman

Publikováno v: ACS Omega
ACS Omega, Vol 1, Iss 2, Pp 293-304 (2016)

The rapid growth of structural information for G-protein-coupled receptors (GPCRs) has led to a greater understanding of their structure, function, selectivity, and ligand binding. Although novel ligands have been identified using methods such as vir

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::385405463abf70dfbb81927177dd5f4a
http://europepmc.org/articles/PMC6044636

Zobrazit plný text záznamu

Identification of Potent Paracaspase MALT1 Inhibitors for Hematological Malignancies

Publikováno v: Blood. 136:30-30

Introduction: MALT1 (mucosa-associated lymphoid tissue lymphoma translocation protein 1), was identified as a translocation protein fused with cIAP2 in mucosa-associated lymphoid tissue (MALT) B cell lymphomas. MALT1, a key mediator of NF-κB signali

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::eb01c8f81a6d5bd57cabeffa46499596
https://doi.org/10.1182/blood-2020-141146

Zobrazit plný text záznamu

In Silico Identification and Pharmacological Evaluation of Novel Endocrine Disrupting Chemicals That Act via the Ligand-Binding Domain of the Estrogen Receptor α

Autor: Irina Kufareva, Ruben Abagyan, Fiona M. McRobb

Publikováno v: Toxicological Sciences. 141:188-197

Endocrine disrupting chemicals (EDCs) pose a significant threat to human health, society, and the environment. Many EDCs elicit their toxic effects through nuclear hormone receptors, like the estrogen receptor α (ERα). In silico models can be used

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e6bec61a3d90993aa6f590905b15115d
https://doi.org/10.1093/toxsci/kfu114

Zobrazit plný text záznamu

In Silico Analysis of the Conservation of Human Toxicity and Endocrine Disruption Targets in Aquatic Species

Autor: Ruben Abagyan, Irina Kufareva, Virginia Sahagun, Fiona M. McRobb

Publikováno v: Environmental Science & Technology

Pharmaceuticals and industrial chemicals, both in the environment and in research settings, commonly interact with aquatic vertebrates. Due to their short life-cycles and the traits that can be generalized to other organisms, fish and amphibians are

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0f19bed4019ac1f35c6797d8a9590403
https://doi.org/10.1021/es404568a

Zobrazit plný text záznamu

Molecular dynamics techniques for modeling G protein-coupled receptors

Autor: Fiona M. McRobb, Thijs Beuming, Andrea Negri, Woody Sherman

Publikováno v: Current opinion in pharmacology. 30

G protein-coupled receptors (GPCRs) constitute a major class of drug targets and modulating their signaling can produce a wide range of pharmacological outcomes. With the growing number of high-resolution GPCR crystal structures, we have the unpreced

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3cff5ad08189e58d7f9c836f19e1b7d6
https://pubmed.ncbi.nlm.nih.gov/27490828

Zobrazit plný text záznamu

Homology Modeling and Docking Evaluation of Aminergic G Protein-Coupled Receptors

Autor: Fiona M. McRobb, Ian Travers Crosby, Ben Capuano, David K. Chalmers, Elizabeth Yuriev

Publikováno v: Journal of Chemical Information and Modeling. 50:626-637

We report the development of homology models of dopamine (D(2), D(3), and D(4)), serotonin (5-HT(1B), 5-HT(2A), 5-HT(2B), and 5-HT(2C)), histamine (H(1)), and muscarinic (M(1)) receptors, based on the high-resolution structure of the beta(2)-adrenerg

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5b23b6c81191e49aeeecf758eab35725
https://doi.org/10.1021/ci900444q

Zobrazit plný text záznamu

Vyhledávací nástroje:

Upřesnit hledání