المؤلفون: Alice Douangamath, Daren Fearon, Paul Gehrtz, Tobias Krojer, Petra Lukacik, C. David Owen, Efrat Resnick, Claire Strain-Damerell, Anthony Aimon, Péter Ábrányi-Balogh, José Brandão-Neto, Anna Carbery, Gemma Davison, Alexandre Dias, Thomas D. Downes, Louise Dunnett, Michael Fairhead, James D. Firth, S. Paul Jones, Aaron Keeley, György M. Keserü, Hanna F. Klein, Mathew P. Martin, Martin E. M. Noble, Peter O’Brien, Ailsa Powell, Rambabu N. Reddi, Rachael Skyner, Matthew Snee, Michael J. Waring, Conor Wild, Nir London, Frank von Delft, Martin A. Walsh

المصدر: Nature Communications, Vol 11, Iss 1, Pp 1-11 (2020)

مصطلحات موضوعية: Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2041-1723

URL الوصول: https://doaj.org/article/d499338758524d99942f9963faf75661

المؤلفون: Sonja Peter, Lydia Siragusa, Morgan Thomas, Tommaso Palomba, Simon Cross, Noel M. O'Boyle, Dávid Bajusz, György G. Ferenczy, György M. Keserű, Giovanni Bottegoni, Brian Bender, Ijen Chen, Chris De Graaf

المساهمون: Peter, Sonja, Siragusa, Lydia, Thomas, Morgan, Palomba, Tommaso, Cross, Simon, O'Boyle, Noel M., Bajusz, Dávid, Ferenczy, György G., Keserű, György M., Bottegoni, Giovanni, Bender, Brian, Chen, Ijen, De Graaf, Chris

Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:001340193000001; volume:64; issue:21; journal:JOURNAL OF CHEMICAL INFORMATION AND MODELING; https://hdl.handle.net/11576/2747531

الاتاحة: https://hdl.handle.net/11576/2747531
https://doi.org/10.1021/acs.jcim.4c00819
https://pubs.acs.org/doi/epdf/10.1021/acs.jcim.4c00819?ref=article_openPDF

المؤلفون: Balázs Krámos, Zsuzsa Hadady, Attila Makó, Gábor Szántó, Nóra Felföldi, Ildikó Magdó, Amrita Ágnes Bobok, Imre Bata, Viktor Román, András Visegrády, György M. Keserű, István Greiner, János Éles

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Molecular Biology, Pharmacology, Immunology, Cancer, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, protein structure selecting, positive allosteric modulators, perfectly explained based, new protein structures, lead candidate offers, known hts hit, >] pyrimidine core, novel carboxyl feature, lipophilic ligand efficiency, b , receptor using, primary goal, physicochemical properties, pam pharmacophore, objective function, important element, binding mode, 5 -<

Relation: https://figshare.com/articles/journal_contribution/Novel-Type_GABA_sub_B_sub_PAMs_Structure_Activity_Relationship_in_Light_of_the_Protein_Structure/25324945

الاتاحة: https://doi.org/10.1021/acsmedchemlett.3c00560.s001
https://figshare.com/articles/journal_contribution/Novel-Type_GABA_sub_B_sub_PAMs_Structure_Activity_Relationship_in_Light_of_the_Protein_Structure/25324945

المؤلفون: András Gy. Németh, Levente Kollár, Krisztina Németh, Gitta Schlosser, Annamária Minus, György M. Keserű

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Microbiology, Molecular Biology, Biotechnology, Sociology, Environmental Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, third position exploits, therapeutically relevant heterocycles, method also enabled, intramolecular ring closure, encoded library technology, diverse chemical space, compatible synthetic methods, based mock library, multisubstituted indoles via, multisubstituted indoles, suzuki coupling, sonogashira coupling, significant demand, increasing role, high fidelity, cascade reaction

Relation: https://figshare.com/articles/journal_contribution/On-DNA_Synthesis_of_Multisubstituted_Indoles/24849896

الاتاحة: https://doi.org/10.1021/acs.orglett.3c03602.s001
https://figshare.com/articles/journal_contribution/On-DNA_Synthesis_of_Multisubstituted_Indoles/24849896

المؤلفون: Aaron B. Keeley, Aleksandra Kopranovic, Vincenzo Di Lorenzo, Péter Ábrányi-Balogh, Niklas Jänsch, Linh N. Lai, László Petri, Zoltán Orgován, Daniel Pölöske, Anna Orlova, András György Németh, Charlotte Desczyk, Tímea Imre, Dávid Bajusz, Richard Moriggl, Franz-Josef Meyer-Almes, György M. Keserü

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Genetics, Pharmacology, Biotechnology, Cancer, Infectious Diseases, Chemical Sciences not elsewhere classified, potential binding sites, molecular weight ligands, small electrophilic heterocycles, like covalent inhibitor, mutating hdac8 cysteines, hdac8 cysteines, hdac8 ), electrophilic reactivity, electrophilic analogues, covalent labeling, covalent inhibitors, quaternized analogues, mass spectrometry, linker length, hit fragments, glutathione assay, first characterized, drug targets

Relation: https://figshare.com/articles/journal_contribution/Electrophilic_MiniFrags_Revealed_Unprecedented_Binding_Sites_for_Covalent_HDAC8_Inhibitors/24870015

الاتاحة: https://doi.org/10.1021/acs.jmedchem.3c01779.s001
https://figshare.com/articles/journal_contribution/Electrophilic_MiniFrags_Revealed_Unprecedented_Binding_Sites_for_Covalent_HDAC8_Inhibitors/24870015

المؤلفون: György Szabó (2361280), Péter Erdélyi (1495210), Sándor Kolok (3803884), Mónika Vastag (2361268), Attila S. Halász (10916714), Istvánné Kis-Varga (10916717), György I. Lévay (4960555), Zoltán Béni (1313397), János Kóti (2178280), István Greiner (3803863), György M. Keserű (1269681)

مصطلحات موضوعية: Medicine, Biotechnology, Sociology, Cancer, Space Science, Biological Sciences not elsewhere classified, Fragment-Based Optimization, allosteric modulators, metabotropic glutamate receptor -2, druglike properties, high-affinity mGluR 2 PAMs, migraine disease model, suboptimal drug-like profiles, mGluR 2 PAMs, dihydropyrazino-benzimidazolone sca., compound 34, scaffold-hopping attempts, proof-of-concept studies, alternative fragment-based optimiza., infraorbital nerve ligation, pharmacophore-guided approach

Relation: https://figshare.com/articles/journal_contribution/Fragment-Based_Optimization_of_Dihydropyrazino-Benzimidazolones_as_Metabotropic_Glutamate_Receptor_2_Positive_Allosteric_Modulators_against_Migraine/14724278

الاتاحة: https://doi.org/10.1021/acs.jmedchem.1c00563.s002

المؤلفون: Qinghe Gao (1581280), Zhenhua Sun (1365858), Qinfei Xia (10324461), Ruonan Li (4793751), Wenlong Wang (501114), Siwei Ma (1817482), Yixin Chai (10324464), Manman Wu (506663), Wei Hu (6560), Péter Ábrányi-Balogh (10324467), György M. Keserű (1269681), Xinya Han (1425640)

مصطلحات موضوعية: Biophysics, Biochemistry, Microbiology, Genetics, Biotechnology, Developmental Biology, Plant Biology, Computational Biology, Space Science, Environmental Sciences not elsewhere classified, pyrimidine, vinylation reaction, acyclic enamines, General Strategy, annulation reaction, Nonsubstituted Ethylidene Fragment

Relation: https://figshare.com/articles/journal_contribution/Vinylation_of_Aminoazoles_with_Triethylamine_A_General_Strategy_to_Construct_Azolo_1_5_i_a_i_pyrimidines_with_a_Nonsubstituted_Ethylidene_Fragment/14237451

الاتاحة: https://doi.org/10.1021/acs.orglett.1c00571.s001

المؤلفون: Levente Kollár, Katarina Grabrijan, Martina Hrast Rambaher, Krištof Bozovičar, Tímea Imre, György G. Ferenczy, Stanislav Gobec, György M. Keserű

المصدر: Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 39, Iss 1 (2024)

مصطلحات موضوعية: Penicillin-binding proteins, covalent inhibitors, boronic acids, serine labelling, lysine labelling, Therapeutics. Pharmacology, RM1-950

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1475-6366; https://doaj.org/toc/1475-6374

URL الوصول: https://doaj.org/article/3aa73b81e4b544ed9ddec929dc30123d

المؤلفون: Péter Ábrányi-Balogh, Dávid Bajusz, Zoltán Orgován, Aaron B. Keeley, László Petri, Nikolett Péczka, Tibor Viktor Szalai, Gyula Pálfy, Márton Gadanecz, Emma K. Grant, Tímea Imre, Tamás Takács, Ivan Ranđelović, Marcell Baranyi, András Marton, Gitta Schlosser, Qirat F. Ashraf, Elvin D. de Araujo, Tamás Karancsi, László Buday, József Tóvári, András Perczel, Jacob T. Bush, György M. Keserű

المصدر: Communications Chemistry, Vol 7, Iss 1, Pp 1-13 (2024)

مصطلحات موضوعية: Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2399-3669

URL الوصول: https://doaj.org/article/0a79f05dcd144d4ba343eaa1f806db99

المؤلفون: Sandor Vajda, Justin Rettenmaier, Adrian Whitty, David Hall, György M. Keserü, Dima Kozakov, Krister J. Barkovich, James A. Wells, Christine Yueh, Andrey Alekseenko, Bing Xia, Kathryn A. Porter

المصدر: Journal of Medicinal Chemistry. 62:6512-6524

مصطلحات موضوعية: Models, Molecular, Protein Conformation, Allosteric regulation, Druggability, Computational biology, 01 natural sciences, Article, 03 medical and health sciences, Drug Development, Drug Discovery, Animals, Humans, Binding site, Databases, Protein, Protein Kinase Inhibitors, 030304 developmental biology, 0303 health sciences, Chemistry, Kinase, Extramural, computer.file_format, Protein Data Bank, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, Molecular Medicine, Protein Kinases, computer, Allosteric Site

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f2f27fb9a77a1181207ce7bec3472b1f
https://doi.org/10.1021/acs.jmedchem.9b00089

المؤلفون: Robert J. Young, Jonas Boström, György M. Keserü, Dean G. Brown

المصدر: Nature Reviews Drug Discovery. 17:709-727

مصطلحات موضوعية: Pharmacology, 010405 organic chemistry, Drug discovery, Drug Discovery, General Medicine, 010402 general chemistry, 01 natural sciences, Medicinal chemistry, Toolbox, 0104 chemical sciences

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ab901d4b5bc7275b6dfbec6c1424b166
https://doi.org/10.1038/nrd.2018.116

المؤلفون: Iwan J. P. de Esch, Roderick E. Hubbard, Peter van der Sijde, Iina Hellsten, Angelo Romasanta, Jacqueline E. van Muijlwijk-Koezen, György M. Keserü

المساهمون: Corporate Communication (ASCoR, FMG), Medicinal chemistry, AIMMS, Organization Sciences, Network Institute, Organization & Processes of Organizing in Society (OPOS), Innovations in Human Health & Life Sciences, Chemistry and Pharmaceutical Sciences

المصدر: Romasanta, A K S, van der Sijde, P, Hellsten, I, Hubbard, R E, Keseru, G M, van Muijlwijk-Koezen, J & de Esch, I J P 2018, ' When fragments link : a bibliometric perspective on the development of fragment-based drug discovery ', Drug Discovery Today, vol. 23, no. 9, pp. 1596-1609 . https://doi.org/10.1016/j.drudis.2018.05.004
Drug discovery today, 23(9), 1596-1906. Elsevier
Drug Discovery Today, 23(9), 1596-1609. Elsevier Limited
Drug Discovery Today

مصطلحات موضوعية: 0301 basic medicine, Fragment-based lead discovery, Biology, Bibliometrics, Public-Private Sector Partnerships, Field (computer science), Structure-Activity Relationship, 03 medical and health sciences, 0302 clinical medicine, SDG 17 - Partnerships for the Goals, Fragment (logic), Drug Discovery, Animals, Humans, Cooperative Behavior, Innovation, Scientific disciplines, Interdisciplinarity, Pharmacology, Perspective (graphical), Computational Biology, Data science, Authorship, Interinstitutional Relations, Knowledge, 030104 developmental biology, 030220 oncology & carcinogenesis, and Infrastructure, Interdisciplinary Communication, Keyword analysis, SDG 9 - Industry, Innovation, and Infrastructure, Diffusion of Innovation, Periodicals as Topic, SDG 9 - Industry

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7a8535b7f44c1a20074286c5448fa477
https://research.vu.nl/en/publications/aa16c792-8ca9-48a3-a6e0-b3adfb3ad045

المؤلفون: György G. Ferenczy, György M. Keserü, Dávid Bajusz

المصدر: Current Topics in Medicinal Chemistry. 17

مصطلحات موضوعية: Models, Molecular, 0301 basic medicine, Virtual screening, Molecular Structure, Drug discovery, Kinase, Drug Evaluation, Preclinical, General Medicine, Computational biology, Biology, Bioinformatics, 03 medical and health sciences, Computational Technique, 030104 developmental biology, Drug Discovery, Humans, Structure based, Protein Kinase Inhibitors, Protein Kinases

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b8b7b1d0f0a57710b5633a7a48c6c0fe
https://doi.org/10.2174/1568026617666170224121313

المؤلفون: Róbert Gábor Kiss, György M. Keserü

المصدر: Expert Opinion on Therapeutic Patents. 24:1185-1197

مصطلحات موضوعية: Vestibular disorders, Histamine Antagonists, Pharmacology, Ligands, Receptors, G-Protein-Coupled, Patents as Topic, chemistry.chemical_compound, Drug Discovery, Animals, Humans, Medicine, Histamine H4 receptor, Receptors, Histamine H4, Clinical Trials as Topic, Ligand efficiency, business.industry, Ligand, Antagonist, General Medicine, Signaling network, chemistry, Neuropathic pain, Receptors, Histamine, business, Histamine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5a6036ea4a4886628f0f4c2adbbb0506
https://doi.org/10.1517/13543776.2014.959494

المؤلفون: Charles H. Reynolds, David C. Rees, Paul D. Leeson, György M. Keserü, Andrew L. Hopkins

المصدر: Nature Reviews Drug Discovery. 13:105-121

مصطلحات موضوعية: Pharmacology, Drug, Ligand efficiency, Chemistry, Drug discovery, media_common.quotation_subject, Context (language use), General Medicine, Plasma protein binding, Computational biology, Ligand (biochemistry), Combinatorial chemistry, Cheminformatics, Lipophilic efficiency, Drug Discovery, media_common

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::8b62bfad4bb7d1128e20eaffca50e6f0
https://doi.org/10.1038/nrd4163

المؤلفون: Michael M. Hann, György M. Keserü

المصدر: Nature Reviews Drug Discovery. 11:355-365

مصطلحات موضوعية: Pharmacology, Sweet spot, business.industry, Drug discovery, Drug Discovery, Medicine, Nanotechnology, Engineering ethics, General Medicine, Chemistry (relationship), business, Nature versus nurture

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ec046801432d14e2425e48898442c626
https://doi.org/10.1038/nrd3701

المؤلفون: Ákos Tarcsay, Kinga Nyíri, György M. Keserü

المصدر: Journal of Medicinal Chemistry. 55:1252-1260

مصطلحات موضوعية: Octanols, Chromatography, Drug-Related Side Effects and Adverse Reactions, Chemistry, Physical, Chemistry, media_common.quotation_subject, Biological Transport, Active, Water, Permeability, Structure-Activity Relationship, Multiple data, Pharmaceutical Preparations, Lipophilic efficiency, Microsomes, Drug Discovery, Thermodynamics, Molecular Medicine, Quality (business), Biochemical engineering, Central Nervous System Agents, Protein Binding, ADME, media_common

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::649cd14a623dbc0b3c7c97b1a8dda145
https://doi.org/10.1021/jm201388p

المؤلفون: Robert W. Allan, Sung O. Park, György M. Keserü, Andrew T. Magis, Anurima Majumder, Annet Kirabo, Nicholas C. Figueroa, Rebekah Baskin, Kirpal S. Bisht, Zhizhuang Joe Zhao, Peter P. Sayeski

المصدر: Experimental Hematology. 40:22-34

مصطلحات موضوعية: Cancer Research, Cell cycle checkpoint, Apoptosis, Bone Marrow Cells, Mice, Transgenic, Thiophenes, Biology, Article, Mice, Structure-Activity Relationship, hemic and lymphatic diseases, Tumor Cells, Cultured, Genetics, medicine, Animals, Humans, Molecular Biology, Cell Proliferation, Janus kinase 2, Dose-Response Relationship, Drug, Cell growth, Cell Cycle, food and beverages, Cell Biology, Hematology, Janus Kinase 2, Cell cycle, medicine.anatomical_structure, Immunology, Biocatalysis, Cancer research, biology.protein, Phosphorylation, Bone marrow, Tyrosine kinase, hormones, hormone substitutes, and hormone antagonists

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::67da34a04c8e6360a906df79b56adf9d
https://doi.org/10.1016/j.exphem.2011.10.003

المؤلفون: Nicola J. Richmond, Andrew L. Hopkins, Christopher William Murray, Charles H. Reynolds, György M. Keserü, Daniel A. Erlanson, David C. Rees, Paul D. Leeson

المصدر: ACS Medicinal Chemistry Letters. 5:616-618

مصطلحات موضوعية: Ligand efficiency, Standard definition, business.industry, Computer science, Organic Chemistry, Drug Discovery, Criticism, Artificial intelligence, business, Biochemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::cb06f27b1d886ee7f4ec31d41b506e0e
https://doi.org/10.1021/ml500146d

المؤلفون: Robert J. Young, Jonas Boström, Dean G. Brown, György M. Keserü

المصدر: Nature Reviews Drug Discovery. 17:922-922

مصطلحات موضوعية: 0301 basic medicine, Pharmacology, 03 medical and health sciences, 030104 developmental biology, Computer science, Drug discovery, Drug Discovery, General Medicine, Computational biology, Toolbox

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::cc2c642628277d41787581e606e05f36
https://doi.org/10.1038/nrd.2018.217