Structure-Based Design of Potent Selective Nanomolar Type-II Inhibitors of Glycogen Synthase Kinase-3β

Evidence for Novel Action at the Cell-Binding Site of Human Angiogenin Revealed by Heteronuclear NMR Spectroscopy, in silico and in vivo Studies

(2018) Demetra S. M. Chatzileontiadou et al.   ChemMedChem

Okadaic acid–induced tau hyperphosphorylation and the downregulation of Pin1 expression in primary cortical neurons

(2018) Derya Metin-Armağan et al.   JOURNAL OF CHEMICAL NEUROANATOMY

In Vitro and In Vivo Antitumor and Anti-Inflammatory Capabilities of the Novel GSK3 and CDK9 Inhibitor ABC1183

(2018) Randy S. Schrecengost et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS

GSK3 and Tau: Two Convergence Points in Alzheimer's Disease

(2018) Felix Hernandez et al.   JOURNAL OF ALZHEIMERS DISEASE

Identification of GSK-3 as a Potential Therapeutic Entry Point for Epilepsy

(2018) Najat Aourz et al.   ACS Chemical Neuroscience

A Triazolotriazine‐based Dual GSK‐3β/CK‐1δ Ligand as a Potential Neuroprotective Agent Presenting Two Different Mechanisms of Enzymatic Inhibition

(2018) Sara Redenti et al.   ChemMedChem

The GSK3β inhibitor, TDZD-8, rescues cognition in a zebrafish model of okadaic acid-induced Alzheimer's disease

(2018) Daniel Koehler et al.   NEUROCHEMISTRY INTERNATIONAL

SLM, a novel carbazole-based fluorophore attenuates okadaic acid-induced tau hyperphosphorylation via down-regulating GSK-3β activity in SH-SY5Y cells

(2017) Xiaoli Wu et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

GSK-3 Inhibitors: A Ray of Hope for the Treatment of Alzheimer's Disease?

(2017) Ana Martinez et al.   JOURNAL OF ALZHEIMERS DISEASE

The triterpene echinocystic acid and its 3-O-glucoside derivative are revealed as potent and selective glucocorticoid receptor agonists

(2016) Demetra Georgatza et al.   INTERNATIONAL JOURNAL OF BIOCHEMISTRY & CELL BIOLOGY

Nuclear GSK3β promotes tumorigenesis by phosphorylating KDM1A and inducing its deubiquitylation by USP22

(2016) Aidong Zhou et al.   NATURE CELL BIOLOGY

Glycogen Synthase Kinase-3 (GSK-3)-Targeted Therapy and Imaging

(2016) Mukesh K. Pandey et al.   Theranostics

ZINC 15 – Ligand Discovery for Everyone

(2015) Teague Sterling et al.   Journal of Chemical Information and Modeling

OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins

(2015) Edward Harder et al.   Journal of Chemical Theory and Computation

Virtual screening and optimization of Type II inhibitors of JAK2 from a natural product library

(2014) Dik-Lung Ma et al.   CHEMICAL COMMUNICATIONS

Lessons Learnt from Glycogen Synthase Kinase 3 Inhibitors Development for Alzheimer’s Disease

(2014) Ana Martinez et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Conformational Analysis of the DFG-Out Kinase Motif and Biochemical Profiling of Structurally Validated Type II Inhibitors

(2014) R. S. K. Vijayan et al.   JOURNAL OF MEDICINAL CHEMISTRY

Pharmacophore Modeling, Ensemble Docking, Virtual Screening, and Biological Evaluation on Glycogen Synthase Kinase-3β

(2014) Gang Fu et al.   Molecular Informatics

Ins and Outs of Kinase DFG Motifs

(2013) Daniel K. Treiber et al.   CHEMISTRY & BIOLOGY

Sequence Determinants of a Specific Inactive Protein Kinase Conformation

(2013) Sanjay B. Hari et al.   CHEMISTRY & BIOLOGY

Design of Glycogen Synthase Kinase-3 Inhibitors: An Overview on Recent Advancements

(2013) Minhajul Arfeen et al.   CURRENT PHARMACEUTICAL DESIGN

Glycogen synthase kinase-3 inhibitors: Rescuers of cognitive impairments

(2013) Margaret K. King et al.   PHARMACOLOGY & THERAPEUTICS

Targeting GSK3 from Ustilago maydis: Type-II Kinase Inhibitors as Potential Antifungals

(2012) Christian Grütter et al.   ACS Chemical Biology

Glycogen Synthase Kinase-3 Inhibitors as Potent Therapeutic Agents for the Treatment of Parkinson Disease.

(2012) J. A. Morales-García et al.   ACS Chemical Neuroscience

Structural approaches to obtain kinase selectivity

(2012) Richard A. Norman et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of pKaValues

(2011) Chresten R. Søndergaard et al.   Journal of Chemical Theory and Computation

Switching Reversibility to Irreversibility in Glycogen Synthase Kinase 3 Inhibitors: Clues for Specific Design of New Compounds

(2011) Daniel I. Perez et al.   JOURNAL OF MEDICINAL CHEMISTRY

The VSGB 2.0 model: A next generation energy model for high resolution protein structure modeling

(2011) Jianing Li et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Modulation of GSK-3 as a Therapeutic Strategy on Tau Pathologies

(2011) Miguel Medina et al.   Frontiers in Molecular Neuroscience

GSK-3 Inhibitors: Preclinical and Clinical Focus on CNS

(2011) Hagit Eldar-Finkelman et al.   Frontiers in Molecular Neuroscience

Characterization of Glutathione Conjugates of Duloxetine by Mass Spectrometry and Evaluation ofin SilicoApproaches to Rationalize the Site of Conjugation for Thiophene Containing Drugs

(2010) Guosheng Wu et al.   CHEMICAL RESEARCH IN TOXICOLOGY

New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

(2010) Jonathan B. Baell et al.   JOURNAL OF MEDICINAL CHEMISTRY

Kinetics, in silico docking, molecular dynamics, and MM-GBSA binding studies on prototype indirubins, KT5720, and staurosporine as phosphorylase kinase ATP-binding site inhibitors: The role of water molecules examined

(2010) Joseph M. Hayes et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Thienylhalomethylketones: Irreversible glycogen synthase kinase 3 inhibitors as useful pharmacological tools

(2009) Daniel I. Perez et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Type-II Kinase Inhibitor Docking, Screening, and Profiling Using Modified Structures of Active Kinase States

(2008) Irina Kufareva et al.   JOURNAL OF MEDICINAL CHEMISTRY