378 results on '"Keserű, György M."'
Search Results
2. Covalent fragment approaches targeting non-cysteine residues
3. Covalent fragment mapping of KRasG12C revealed novel chemotypes with in vivo potency
4. Covalent inhibitors of bacterial peptidoglycan biosynthesis enzyme MurA with chloroacetamide warhead
5. Favipiravir for the treatment of COVID-19 in elderly patients—what do we know after 2 years of COVID-19?
6. Exploring Chemical Spaces in the Billion Range: Is Docking a Computational Alternative to DNA-Encoded Libraries?
7. Comparative Study of Allosteric GPCR Binding Sites and Their Ligandability Potential.
8. Semisynthetic teicoplanin derivatives with dual antimicrobial activity against SARS-CoV-2 and multiresistant bacteria
9. Discovery of selective fragment-sized immunoproteasome inhibitors
10. Controlling the selectivity of aminergic GPCR ligands from the extracellular vestibule
11. Novel potent (dihydro)benzofuranyl piperazines as human histamine receptor ligands – Functional characterization and modeling studies on H3 and H4 receptors
12. Mechanistic and thermodynamic characterization of oxathiazolones as potent and selective covalent immunoproteasome inhibitors
13. Site-Selective Antibody Conjugation with Dibromopyrazines.
14. Contribution of Noncovalent Recognition and Reactivity to the Optimization of Covalent Inhibitors: A Case Study on KRasG12C.
15. An electrophilic warhead library for mapping the reactivity and accessibility of tractable cysteines in protein kinases
16. Covalent fragment libraries in drug discovery
17. WIDOCK: a reactive docking protocol for virtual screening of covalent inhibitors
18. Discovery of dihydropyrazino-benzimidazole derivatives as metabotropic glutamate receptor-2 (mGluR2) positive allosteric modulators (PAMs)
19. Small molecule inhibitors of RAS proteins with oncogenic mutations
20. Large-scale evaluation of cytochrome P450 2C9 mediated drug interaction potential with machine learning-based consensus modeling
21. Exploring protein hotspots by optimized fragment pharmacophores
22. PharmacoSTORM nanoscale pharmacology reveals cariprazine binding on Islands of Calleja granule cells
23. The impact of binding site waters on the activity/selectivity trade-off of Janus kinase 2 (JAK2) inhibitors
24. A road map for prioritizing warheads for cysteine targeting covalent inhibitors
25. Discovery of isatin and 1H-indazol-3-ol derivatives as d-amino acid oxidase (DAAO) inhibitors
26. The role of water and protein flexibility in the structure-based virtual screening of allosteric GPCR modulators: an mGlu5 receptor case study
27. Discovery of 4-amino-3-arylsulfoquinolines, a novel non-acetylenic chemotype of metabotropic glutamate 5 (mGlu5) receptor negative allosteric modulators
28. Binding thermodynamics discriminates fragments from druglike compounds: a thermodynamic description of fragment-based drug discovery
29. On-DNA Synthesis of Multisubstituted Indoles.
30. Validation of tautomeric and protomeric binding modes by free energy calculations. A case study for the structure based optimization of d-amino acid oxidase inhibitors
31. Ensemble docking-based virtual screening yields novel spirocyclic JAK1 inhibitors
32. Analysis of tractable allosteric sites in G protein-coupled receptors
33. GproteinDb in 2024: new G protein-GPCR couplings, AlphaFold2-multimer models and interface interactions.
34. Molecular Mechanism of Labelling Functional Cysteines by Heterocyclic Thiones.
35. Cell-based and virtual fragment screening for adrenergic α2C receptor agonists
36. Is there a link between selectivity and binding thermodynamics profiles?
37. Virtual fragment screening on GPCRs: A case study on dopamine D3 and histamine H4 receptors
38. Binding kinetics of cariprazine and aripiprazole at the dopamine D3 receptor
39. SH2db, an information system for the SH2 domain.
40. The Small Molecule Inhibitor G6 Significantly Reduces Bone Marrow Fibrosis and the Mutant Burden in a Mouse Model of Jak2-Mediated Myelofibrosis
41. A46, a benzothiophene-derived compound, suppresses Jak2-mediated pathologic cell growth
42. The Jak2 Inhibitor, G6, Alleviates Jak2-V617F–Mediated Myeloproliferative Neoplasia by Providing Significant Therapeutic Efficacy to the Bone Marrow
43. The Stilbenoid Tyrosine Kinase Inhibitor, G6, Suppresses Jak2-V617F-mediated Human Pathological Cell Growth in Vitro and in Vivo
44. A desirability function-based scoring scheme for selecting fragment-like class A aminergic GPCR ligands
45. Activation-Free Sulfonyl Fluoride Probes for Fragment Screening.
46. Safe and Efficient Continuous-Flow Synthesis and Batchwise Hydrolysis of Ethyl 5-Acetyl-1 H -pyrazole-3-carboxylate: A Key Synthon of Darolutamide.
47. Structure-Function Correlation of G6, a Novel Small Molecule Inhibitor of Jak2: INDISPENSABILITY OF THE STILBENOID CORE
48. Thermodynamics guided lead discovery and optimization
49. GPCRdb in 2023: state-specific structure models using AlphaFold2 and new ligand resources.
50. Next-Generation Heterocyclic Electrophiles as Small-Molecule Covalent MurA Inhibitors.
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.