Results 31 to 40 of about 22,971 (281)

Solvent Effects on Electrophilicity

Journal of the American Chemical Society, 2001
Continuum solvent effect on the electrophilicity index recently proposed by Parr and co-workers (Parr, R. G.; von Szentpaly, L.; Liu, S. J. Am. Chem. Soc. 1999, 121, 1922) is discussed in detail. Solvent effect is introduced using the self-consistent isodensity polarized continuum model (SCI-PCM).
Pérez, Patricia, Toro Labbé, Alejandro, Contreras, Renato   +2 more
openaire   +9 more sources

Electrophiles against (Skin) Diseases: More Than Nrf2

Biomolecules, 2020
The skin represents an indispensable barrier between the organism and the environment and is the first line of defense against exogenous insults. The transcription factor NRF2 is a central regulator of cytoprotection and stress resistance.
Paulina Hennig, Gabriele Fenini, Michela Di Filippo, Hans-Dietmar Beer   +3 more
doaj   +1 more source

Atomistic mechanisms of human TRPA1 activation by electrophile irritants through molecular dynamics simulation and mutual information analysis

Scientific Reports, 2022
The ion channel TRPA1 is a promiscuous chemosensor, with reported response to a wide spectrum of noxious electrophilic irritants, as well as cold, heat, and mechanosensation.
Matthew Habgood, David Seiferth, Afroditi-Maria Zaki, Irfan Alibay, Philip C. Biggin   +4 more
doaj   +1 more source

Electrochemically Driven Cross-Electrophile Coupling of Alkyl Halides [PDF]

, 2021
Recent research in medicinal chemistry suggests a correlation between an increase in the fraction of sp3 carbons in drug candidates with their improved success rate in clinical trials.
Wen, Zhang, Jose, Mondragon, Dan, Lehnherr, Lingxiang, Lu, Song, Lin, Wendy, Zhang, Kimberly, See, Skyler, Ware, Neil, Strotman, Jonas, Rein   +9 more
core   +1 more source

Vimentin single cysteine residue acts as a tunable sensor for network organization and as a key for actin remodeling in response to oxidants and electrophiles

Redox Biology, 2023
Cysteine residues can undergo multiple posttranslational modifications with diverse functional consequences, potentially behaving as tunable sensors.
Patricia González-Jiménez, Sofia Duarte, Alma E. Martínez, Elena Navarro-Carrasco, Vasiliki Lalioti, María A. Pajares, Dolores Pérez-Sala   +6 more
doaj   +1 more source

Electrophile Modulation of Inflammation: A Two-Hit Approach

Metabolites, 2020
Electrophilic small molecules have gained significant attention over the last decade in the field of covalent drug discovery. Long recognized as mediators of the inflammatory process, recent evidence suggests that electrophiles may modulate the immune ...
James O’Brien, Stacy G. Wendell
doaj   +1 more source

Functional evidence of distinct electrophile-induced activation states of the ion channel TRPA1

Biochemistry and Biophysics Reports, 2021
Transient Receptor Potential Ankyrin 1 (TRPA1) is a tetrameric, nonselective cation channel expressed on nociceptive sensory nerves whose activation elicits nocifensive responses (e.g. pain).
Thomas A. Parks, Parmvir K. Bahia, Thomas E. Taylor-Clark   +2 more
doaj   +1 more source

The Electrophile Desolvation Process in Nucleophile-Electrophile Combination Reactions [PDF]

, 1983
The protonation and methylation of ethylene in different solvents are studied, by means of the MIND0/3 method, in order to check the hypothesis of partial desolvation of the electrophile at the transition state.
Anguiano, Julio, Bertran, Juan, Oliva, Antonio   +2 more
core   +1 more source

Are Astrocytes the Predominant Cell Type for Activation of Nrf2 in Aging and Neurodegeneration?

Antioxidants, 2017
Nuclear factor erythroid 2-related factor 2 (Nrf2) is a transcription factor that regulates hundreds of antioxidant genes, and is activated in response to oxidative stress.
Jeffrey R. Liddell
doaj   +1 more source

KEAP1/NRF2 as a druggable target [PDF]

Arhiv za farmaciju, 2023
Nuclear factor erythroid 2-related factor 2 (NRF2; encoded by NFE2L2) is an inducible transcription factor that regulates the expression of a large network of genes encoding proteins with cytoprotective functions.
Dinkova-Kostova Albena T.
doaj