about
Targeted rescue of a destabilized mutant of p53 by an in silico screened drugHalogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant p53Targeting the Gatekeeper MET146 of C-Jun N-Terminal Kinase 3 Induces a Bivalent Halogen/Chalcogen BondApplying DEKOIS 2.0 in structure-based virtual screening to probe the impact of preparation procedures and score normalizationHarnessing Fluorine-Sulfur Contacts and Multipolar Interactions for the Design of p53 Mutant Y220C Rescue DrugsHalogen-enriched fragment libraries as chemical probes for harnessing halogen bonding in fragment-based lead discovery.Lithocholic acid is an endogenous inhibitor of MDM4 and MDM2.The structural evolution of dopamine D3 receptor ligands: structure-activity relationships and selected neuropharmacological aspects.Dopamine D3 receptor ligands: recent advances in the control of subtype selectivity and intrinsic activity.Validated scoring of halogen bonding in molecular designUse of DEKOIS 2.0 to gain insights for virtual screening.Synthesis and Optimization of New 3,6-Disubstitutedindole Derivatives and Their Evaluation as Anticancer Agents Targeting the MDM2/MDMx Complex.Trisubstituted and tetrasubstituted pyrazolines as a novel class of cell-growth inhibitors in tumor cells with wild type p53.Synthesis and molecular modeling of novel tetrahydro-β-carboline derivatives with phosphodiesterase 5 inhibitory and anticancer properties.Fluorescence polarization-based assays for detecting compounds binding to inactive c-Jun N-terminal kinase 3 and p38α mitogen-activated protein kinase.Exploiting Transient Protein States for the Design of Small-Molecule Stabilizers of Mutant p53.Bicyclic melatonin receptor agonists containing a ring-junction nitrogen: Synthesis, biological evaluation, and molecular modeling of the putative bioactive conformation.Experimental and Theoretical Evaluation of the Ethynyl Moiety as a Halogen BioisosterepROC-Chemotype Plots Enhance the Interpretability of Benchmarking Results in Structure-Based Virtual Screening.Evaluating the potential of halogen bonding in molecular design: automated scaffold decoration using the new scoring function XBScore.Inferring multi-target QSAR models with taxonomy-based multi-task learning.Machine learning estimates of natural product conformational energies.Intramolecular signaling in tandem-GAF domains from PDE5 and PDE10 studied with a cyanobacterial adenylyl cyclase reporter.Attenuation of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) neurotoxicity by the novel selective dopamine D3-receptor partial agonist FAUC 329 predominantly in the nucleus accumbens of mice.Analogues of FAUC 73 revealing new insights into the structural requirements of nonaromatic dopamine D3 receptor agonists.FAUC 213, a highly selective dopamine D4 receptor full antagonist, exhibits atypical antipsychotic properties in behavioural and neurochemical models of schizophrenia.Fancy bioisosteres: synthesis and dopaminergic properties of the endiyne FAUC 88 as a novel non-aromatic D3 agonist.Principles and applications of halogen bonding in medicinal chemistry and chemical biology.Modeling the similarity and divergence of dopamine D2-like receptors and identification of validated ligand-receptor complexes.Probing the impact of protein and ligand preparation procedures on chemotype enrichment in structure-based virtual screening using DEKOIS 2.0 benchmark sets.CoMFA and CoMSIA investigations revealing novel insights into the binding modes of dopamine D3 receptor agonists.Fancy bioisosteres: synthesis, SAR, and pharmacological investigations of novel nonaromatic dopamine D3 receptor ligands.Fancy bioisosteres: metallocene-derived G-protein-coupled receptor ligands with subnanomolar binding affinity and novel selectivity profiles.Pharmacophore-guided drug discovery investigations leading to bioactive 5-aminotetrahydropyrazolopyridines. Implications for the binding mode of heterocyclic dopamine D3 receptor agonists.Tri- and Tetrasubstituted Pyridinylimidazoles as Covalent Inhibitors of c-Jun N-Terminal Kinase 3.Using halogen bonds to address the protein backbone: a systematic evaluation.Structure-selectivity investigations of D2-like receptor ligands by CoMFA and CoMSIA guiding the discovery of D3 selective PET radioligands.Fancy bioisosteres: novel paracyclophane derivatives as super-affinity dopamine D3 receptor antagonists.Fluorescence polarization-based competition binding assay for c-Jun N-terminal kinases 1 and 2.Hitting a moving target: targeting transient protein states.
P50
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P50
description
hulumtues
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հետազոտող
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name
Frank M. Boeckler
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Frank M. Boeckler
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Frank M. Boeckler
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Frank M. Boeckler
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Frank M. Boeckler
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Frank M. Boeckler
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Frank M. Boeckler
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Frank M. Boeckler
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Frank M. Boeckler
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Frank M. Boeckler
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Frank Boeckler
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Frank M. Boeckler
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Frank M. Boeckler
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Frank M. Boeckler
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Frank M. Boeckler
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Frank M. Boeckler
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P108
P1053
B-9438-2008
P106
P108
P1153
6506347097
P21
P2456
P31
P3829
P496
0000-0001-8738-6716