Reaction profiling of a set of acrylamide-based human tissue transglutaminase inhibitors

Keyphrases

• Acrylamide 100%
• Transglutaminase Inhibitors 100%
• TG2 Inhibitors 100%
• Human Tissue Transglutaminase 100%
• Reaction Profiling 100%
• Michael Reaction 80%
• Thiolate 60%
• Active Sites 40%
• Order of Magnitude 20%
• IC50 20%
• Neurodegenerative Diseases 20%
• Overexpression 20%
• Small Molecules 20%
• Cysteine 20%
• Celiac Disease 20%
• Lysine 20%
• Amino Group 20%
• In Silico 20%
• Molecular Dynamics Simulation 20%
• Fibrosis 20%
• Glutamine 20%
• Drug Target 20%
• Peptidomimetics 20%
• Activation Energy 20%
• Three-order 20%
• Two-phase Reaction 20%
• Transamidation 20%
• Covalent Modification 20%
• Warhead 20%
• Carboxamide 20%
• Quantum Mechanical 20%
• Reaction Coordinate 20%
• Pronation 20%
• Electrophilic Warhead 20%
• Concerted Reaction 20%
• QM-MM 20%
• Protonation 20%
• Two-stage Approximation 20%
• Umbrella Sampling 20%

Biochemistry, Genetics and Molecular Biology

• Tissue Transglutaminase 100%
• Michael Addition 100%
• Thiolates 75%
• Active Site 50%
• Enzyme 25%
• IC50 25%
• Small Molecule 25%
• Lysine 25%
• Cysteine 25%
• Cross-Link 25%
• Glutamine 25%
• Electrophilicity 25%
• Protonation 25%
• Umbrella Sampling 25%
• Pronation 25%
• Peptidomimetic 25%

Chemistry

• Acrylamide 100%
• Michael Reaction 80%
• Cysteine 20%
• IC50 20%
• Carboxamide 20%
• Amino Group 20%
• Molecular dynamics simulation 20%
• Glutamine 20%
• Lysine 20%
• Reaction Activation Energy 20%
• Crosslinking 20%
• Drug Target 20%
• protonation 20%
• Peptidomimetic 20%
• Transamidation 20%