Identifying hQC Inhibitors of Alzheimer’s Disease by Effective Customized Pharmacophore-Based Virtual Screening, Molecular Dynamic Simulation, and Binding Free Energy Analysis

Discovery of Potent Human Glutaminyl Cyclase Inhibitors as Anti-Alzheimer’s Agents Based on Rational Design

(2017) Van-Hai Hoang et al.   JOURNAL OF MEDICINAL CHEMISTRY

Multifunctional Tacrine Derivatives in Alzheimer’s Disease

(2014) Anna Minarini et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

AutoDock4Zn: An Improved AutoDock Force Field for Small-Molecule Docking to Zinc Metalloproteins

(2014) Diogo Santos-Martins et al.   Journal of Chemical Information and Modeling

g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

(2014) Rashmi Kumari et al.   Journal of Chemical Information and Modeling

Structure–activity relationship of human glutaminyl cyclase inhibitors having an N-(5-methyl-1H-imidazol-1-yl)propyl thiourea template

(2013) Phuong-Thao Tran et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Concentration of Donepezil to the Cognitive Response in Alzheimer Disease

(2013) Yuan-Han Yang et al.   JOURNAL OF CLINICAL PSYCHOPHARMACOLOGY

Structure–Activity Relationships of Benzimidazole-Based Glutaminyl Cyclase Inhibitors Featuring a Heteroaryl Scaffold

(2013) Daniel Ramsbeck et al.   JOURNAL OF MEDICINAL CHEMISTRY

Pyroglutamate-Modified Amyloid-� Protein Demonstrates Similar Properties in an Alzheimer's Disease Familial Mutant Knock-In Mouse and Alzheimer's Disease Brain

(2013) Guoxin Wu et al.   Neurodegenerative Diseases

Crystal Structures of Glutaminyl Cyclases (QCs) from Drosophila melanogaster Reveal Active Site Conservation between Insect and Mammalian QCs

(2012) Birgit Koch et al.   BIOCHEMISTRY

Probing Secondary Glutaminyl Cyclase (QC) Inhibitor Interactions Applying an in silico-Modeling/Site-Directed Mutagenesis Approach: Implications for Drug Development

(2012) Birgit Koch et al.   Chemical Biology & Drug Design

Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking

(2012) Michael M. Mysinger et al.   JOURNAL OF MEDICINAL CHEMISTRY

Prion-like behaviour and tau-dependent cytotoxicity of pyroglutamylated amyloid-β

(2012) Justin M. Nussbaum et al.   NATURE

Glutaminyl cyclase contributes to the formation of focal and diffuse pyroglutamate (pGlu)-Aβ deposits in hippocampus via distinct cellular mechanisms

(2011) Maike Hartlage-Rübsamen et al.   ACTA NEUROPATHOLOGICA

Structures of Glycosylated Mammalian Glutaminyl Cyclases Reveal Conformational Variability near the Active Center

(2011) David Ruiz-Carrillo et al.   BIOCHEMISTRY

Structures of Human Golgi-resident Glutaminyl Cyclase and Its Complexes with Inhibitors Reveal a Large Loop Movement upon Inhibitor Binding

(2011) Kai-Fa Huang et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Pyroglutamate Amyloid-β (Aβ): A Hatchet Man in Alzheimer Disease

(2011) Sadim Jawhar et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Selective Hippocampal Neurodegeneration in Transgenic Mice Expressing Small Amounts of Truncated A  Is Induced by Pyroglutamate-A  Formation

(2011) A. Alexandru et al.   JOURNAL OF NEUROSCIENCE

Distinct glutaminyl cyclase expression in Edinger–Westphal nucleus, locus coeruleus and nucleus basalis Meynert contributes to pGlu-Aβ pathology in Alzheimer’s disease

(2010) Markus Morawski et al.   ACTA NEUROPATHOLOGICA

2010 Rheumatoid arthritis classification criteria: An American College of Rheumatology/European League Against Rheumatism collaborative initiative

(2010) Daniel Aletaha et al.   ARTHRITIS AND RHEUMATISM

Pharmacophore modeling and applications in drug discovery: challenges and recent advances

(2010) Sheng-Yong Yang   DRUG DISCOVERY TODAY

Pyroglutamate-Aβ: Role in the natural history of Alzheimer's disease

(2010) Adam P. Gunn et al.   INTERNATIONAL JOURNAL OF BIOCHEMISTRY & CELL BIOLOGY

Overexpression of Glutaminyl Cyclase, the Enzyme Responsible for Pyroglutamate Aβ Formation, Induces Behavioral Deficits, and Glutaminyl Cyclase Knock-out Rescues the Behavioral Phenotype in 5XFAD Mice

(2010) Sadim Jawhar et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

The diagnosis of osteoporosis

(2010) John A. Kanis et al.   JOURNAL OF BONE AND MINERAL RESEARCH

Improved Survival with Ipilimumab in Patients with Metastatic Melanoma

(2010) F. Stephen Hodi et al.   NEW ENGLAND JOURNAL OF MEDICINE

Improved side-chain torsion potentials for the Amber ff99SB protein force field

(2010) Kresten Lindorff-Larsen et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Pyroglutamate Formation Influences Solubility and Amyloidogenicity of Amyloid Peptides

(2009) Dagmar Schlenzig et al.   BIOCHEMISTRY

Staggered Mesh Ewald: An Extension of the Smooth Particle-Mesh Ewald Method Adding Great Versatility

(2009) David S. Cerutti et al.   Journal of Chemical Theory and Computation

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Inhibitors for Human Glutaminyl Cyclase by Structure Based Design and Bioisosteric Replacement

(2009) Mirko Buchholz et al.   JOURNAL OF MEDICINAL CHEMISTRY

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection—What can we learn from earlier mistakes?

(2008) Johannes Kirchmair et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Inhibition of glutaminyl cyclase prevents pGlu-A formation after intracorticalhippocampal microinjectionin vivoin situ

(2008) Stephan Schilling et al.   JOURNAL OF NEUROCHEMISTRY

Glutaminyl cyclase inhibition attenuates pyroglutamate Aβ and Alzheimer's disease–like pathology

(2008) Stephan Schilling et al.   NATURE MEDICINE