Results 151 to 160 of about 2,703,446 (282)

Glyoxalase‐1 Inhibition Leads to Ferroptosis Induction in Lung Cancer Cells: A Dual Mechanism of Action of Hydroxamic Acids Derived from Cysteine

ChemMedChem, EarlyView.
A set of three cysteine‐derived hydroxamic acids were synthesized and evaluated for human gloxalase‐1 inhibition and ferroptosis induction activities. Among them, compound 2 exhibited a potent inhibitory effect against human glyoxalase‐1 and induced ferroptosis in non‐small cell lung cancer cell lines, increasing reactive oxygen species production and ...
Josué Martínez‐Miranda, Dolores Aguilar‐Cázares, Angélica Flores–Flores, Miguel Ángel Santos‐Contreras, José S. López‐González, Rodrigo Aguayo‐Ortiz, Rogélio Hernández‐Pando, Francisco Hernández‐Luis   +7 more
wiley   +1 more source

Structure–Property Associations: Breaking Paradigms for Linking Chemical Structures and Biological Properties in Drug Discovery

ChemMedChem, EarlyView.
The figure contrasts traditional structure–activity relationships, which assume direct links between chemical structures and biological activity, with structure–property associations (SPAs), which capture indirect connections across multiple biological scales.
Edgar López‐López, J. Israel Espinoza‐Castañeda, Karina Martinez‐Mayorga, José L. Medina‐Franco   +3 more
wiley   +1 more source

Small‐Molecule Sarco/Endoplasmic Reticulum Ca2+‐ATPase Activators Reverse Methylglyoxal‐Induced Inhibition through Nonantioxidant Mechanisms

ChemMedChem, EarlyView.
Endoplasmic reticulum (ER) Ca2+ dysregulation drives β‐cell dysfunction under diabetic stressors like methylglyoxal, which inhibits the sarco/endoplasmic reticulum Ca2+‐ATPase (SERCA) pump through oxidative modifications. We show that synthetic SERCA activators restore pump activity after methylglyoxal‐induced damage.
Carlos Cruz‐Cortés, Silvia Micháliková, Petronela Rezbáriková, L. Michel Espinoza‐Fonseca, Jana Viskupičová   +4 more
wiley   +1 more source

Drug Discovery Applications of Nitroso (Hetero)Arene Derivatives

ChemPlusChem, EarlyView.
Nitroso (hetero)aromatic compounds are bioactive molecules with antiviral, anticancer, neuroprotective, and antimicrobial properties. This review highlights their mechanisms of action—oxidative stress, DNA damage, and enzyme inhibition—alongside synthesis, structure–activity relationships, and toxicity challenges, offering insight into their ...
Silvia Roscales, Aurelio G. Csáky
wiley   +1 more source

Toxic Tear Gas 2‐Chloroacetophenone (CN) Forms Adducts With Endogenous Plasma Thiols In Vitro Valuable as Biomarkers of Exposure

Drug Testing and Analysis, EarlyView.
Incubation of human plasma with the tear gas 2‐chloroacetophenone (CN) led to the formation of acetophenone (AcPhen)‐adducts with the small plasma thiols glutathione, homocysteine, and cysteine persulfide. The AcPhen‐adducts were either bound to an organic thiol‐group or to an organic persulfide. The adducts were detected with a mass spectrometry‐based
Paula Helena Sieber, Dirk Steinritz, Franz Worek, Harald John   +3 more
wiley   +1 more source

Interpretation of in vitro concentration‐response data for risk assessment and regulatory decision‐making: Report from the 2022 IWGT quantitative analysis expert working group meeting

Environmental and Molecular Mutagenesis, EarlyView.
Abstract Quantitative risk assessments of chemicals are routinely performed using in vivo data from rodents; however, there is growing recognition that non‐animal approaches can be human‐relevant alternatives. There is an urgent need to build confidence in non‐animal alternatives given the international support to reduce the use of animals in toxicity ...
Marc A. Beal, Guangchao Chen, Kerry L. Dearfield, Min Gi, Bhaskar Gollapudi, Robert H. Heflich, Katsuyoshi Horibata, Alexandra S. Long, David P. Lovell, Barbara L. Parsons, Stefan Pfuhler, John Wills, Andreas Zeller, George Johnson, Paul A. White   +14 more
wiley   +1 more source

Model Averaging Software for Dichotomous Dose Response Risk Estimation [PDF]

Model averaging has been shown to be a useful method for incorporating model uncertainty in quantitative risk estimation. In certain circumstances this technique is computationally complex, requiring sophisticated software to carry out the computation ...
A. John Bailer, Matthew W. Wheeler
core   +1 more source

Epigenotoxicity: Decoding the epigenetic imprints of genotoxic agents and their implications for regulatory genetic toxicology

Environmental and Molecular Mutagenesis, EarlyView.
Abstract Regulatory genetic toxicology focuses on DNA damage and subsequent gene mutations. However, genotoxic agents can also affect epigenetic marks, and incorporation of epigenetic data into the regulatory framework may thus enhance the accuracy of risk assessment.
Roger Godschalk, Christopher Faulk, Jessica LaRocca, Jan van Benthem, Francesco Marchetti   +4 more
wiley   +1 more source

Outcome of IWGT workshop on transcriptomic biomarkers for genotoxicity: Key considerations for bioinformatics

Environmental and Molecular Mutagenesis, EarlyView.
Abstract As a part of the International Workshop on Genotoxicity Testing (IWGT) in 2022, a workgroup was formed to evaluate the level of validation and regulatory acceptance of transcriptomic biomarkers that identify genotoxic substances. Several such biomarkers have been developed using various molecular techniques and computational approaches. Within
Matthew J. Meier, Florian Caiment, J. Christopher Corton, Roland Frötschl, Yurika Fujita, Danyel Jennen, Roman Mezencev, Carole Yauk   +7 more
wiley   +1 more source

Consensus findings of an International Workshops on Genotoxicity Testing workshop on using transcriptomic biomarkers to predict genotoxicity

Environmental and Molecular Mutagenesis, EarlyView.
Abstract Gene expression biomarkers have the potential to identify genotoxic and non‐genotoxic carcinogens, providing opportunities for integrated testing and reducing animal use. In August 2022, an International Workshops on Genotoxicity Testing (IWGT) workshop was held to critically review current methods to identify genotoxicants using ...
Roland Froetschl, J. Christopher Corton, Henghong Li, Jiri Aubrecht, Scott S. Auerbach, Florian Caiment, Tatyana Y. Doktorova, Yurika Fujita, Danyel Jennen, Naoki Koyama, Matthew J. Meier, Roman Mezencev, Leslie Recio, Takayoshi Suzuki, Carole L. Yauk   +14 more
wiley   +1 more source