about
Solid-phase synthesis of an N-(phenylalkyl)cinnamide library via Horner-Wadsworth-Emmons reaction.Virtual screening for beta-secretase (BACE1) inhibitors reveals the importance of protonation states at Asp32 and Asp228.Identification of nitric oxide donors by biomimetic HTS application.Identification of a novel inhibitor of JAK2 tyrosine kinase by structure-based virtual screeningThe Jak2 small molecule inhibitor, G6, reduces the tumorigenic potential of T98G glioblastoma cells in vitro and in vivo.Structure-function correlation of G6, a novel small molecule inhibitor of Jak2: indispensability of the stilbenoid core.Thermodynamics of fragment binding.Discovery of cariprazine (RGH-188): a novel antipsychotic acting on dopamine D3/D2 receptors.A neural network based prediction of octanol-water partition coefficients using atomic5 fragmental descriptors.The small molecule inhibitor G6 significantly reduces bone marrow fibrosis and the mutant burden in a mouse model of Jak2-mediated myelofibrosis.Virtual fragment screening on GPCRs: a case study on dopamine D3 and histamine H4 receptors.Cell death induced by the Jak2 inhibitor, G6, correlates with cleavage of vimentin filaments.Thieno[2,3-b]pyridines as negative allosteric modulators of metabotropic GluR5 receptors: hit-to-lead optimization.Multiple fragment docking and linking in primary and secondary pockets of dopamine receptors.A desirability function-based scoring scheme for selecting fragment-like class A aminergic GPCR ligands.The Jak2 inhibitor, G6, alleviates Jak2-V617F-mediated myeloproliferative neoplasia by providing significant therapeutic efficacy to the bone marrowThieno[2,3-b]pyridines as negative allosteric modulators of metabotropic GluR5 receptors: Lead optimization.Structure-Based Consensus Scoring Scheme for Selecting Class A Aminergic GPCR Fragments.4-Aryl-3-arylsulfonyl-quinolines as negative allosteric modulators of metabotropic GluR5 receptors: From HTS hit to development candidate.Design Principles for Fragment Libraries: Maximizing the Value of Learnings from Pharma Fragment-Based Drug Discovery (FBDD) Programs for Use in Academia.Discovery and Preclinical Characterization of 3-((4-(4-Chlorophenyl)-7-fluoroquinoline-3-yl)sulfonyl)benzonitrile, a Novel Non-acetylenic Metabotropic Glutamate Receptor 5 (mGluR5) Negative Allosteric Modulator for Psychiatric Indications.Discovery of 4-amino-3-arylsulfoquinolines, a novel non-acetylenic chemotype of metabotropic glutamate 5 (mGlu5) receptor negative allosteric modulators.Recent developments on JAK2 inhibitors: a patent review.Thermodynamics guided lead discovery and optimization.Integration of virtual and high throughput screening in lead discovery settings.Bradykinin B1 receptor antagonists: a patent update 2009 - 2012.Novel histamine H4 receptor ligands and their potential therapeutic applications: an update.Is there a link between selectivity and binding thermodynamics profiles?The impact of binding thermodynamics on medicinal chemistry optimizations.What is the future for fragment-based drug discovery?Structure-based discovery and binding site analysis of histamine receptor ligands.Binding thermodynamics discriminates fragments from druglike compounds: a thermodynamic description of fragment-based drug discovery.Structure-based Virtual Screening Approaches in Kinase-directed Drug Discovery.Application of the BD ACTOne technology for the high-throughput screening of Gs-coupled receptor antagonists.Activation mechanism of the human histamine H4 receptor--an explicit membrane molecular dynamics simulation study.A neural network based classification scheme for cytotoxicity predictions:Validation on 30,000 compounds.Validity of ligand efficiency metrics.Carbamoyloximes as novel non-competitive mGlu5 receptor antagonists.Site of metabolism prediction on cytochrome P450 2C9: a knowledge-based docking approach.Synthesis of vinca alkaloids and related compounds. 100. Stereoselective oxidation reactions of compounds with the aspidospermane and quebrachamine ring system. First synthesis of some alkaloids containing the epoxy ring.
P50
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P50
description
researcher
@en
wetenschapper
@nl
name
G M Keseru
@en
G M Keseru
@nl
type
label
G M Keseru
@en
G M Keseru
@nl
prefLabel
G M Keseru
@en
G M Keseru
@nl
P106
P31
P496
0000-0003-1039-7809