Computational strategies for predicting free radical scavengers' protection against oxidative stress: where are we and what might follow?
A Galano, J Raúl Alvarez‐Idaboy - International Journal of …, 2019 - Wiley Online Library
Oxidative stress, which is frequently induced by an overproduction of free radicals (FR),
poses a high risk to human health. Thus, finding efficient strategies for scavenging FR is a …
poses a high risk to human health. Thus, finding efficient strategies for scavenging FR is a …
How is edaravone effective against acute ischemic stroke and amyotrophic lateral sclerosis?
K Watanabe, M Tanaka, S Yuki, M Hirai… - Journal of clinical …, 2018 - jstage.jst.go.jp
抄録 Edaravone is a low-molecular-weight antioxidant drug targeting peroxyl radicals
among many types of reactive oxygen species. Because of its amphiphilicity, it scavenges …
among many types of reactive oxygen species. Because of its amphiphilicity, it scavenges …
Antioxidant Activity of trans-Resveratrol toward Hydroxyl and Hydroperoxyl Radicals: A Quantum Chemical and Computational Kinetics Study
In this work, we have carried out a systematic study of the antioxidant activity of trans-
resveratrol toward hydroxyl (• OH) and hydroperoxyl (• OOH) radicals in aqueous simulated …
resveratrol toward hydroxyl (• OH) and hydroperoxyl (• OOH) radicals in aqueous simulated …
Electron propagator theory: an approach to prediction and interpretation in quantum chemistry
JV Ortiz - Wiley Interdisciplinary Reviews: Computational …, 2013 - Wiley Online Library
Electron propagator theory provides a practical means of calculating electron binding
energies, Dyson orbitals, and ground‐state properties from first principles. This approach to …
energies, Dyson orbitals, and ground‐state properties from first principles. This approach to …
Piceatannol, a better peroxyl radical scavenger than resveratrol
M Cordova-Gomez, A Galano, JR Alvarez-Idaboy - RSC advances, 2013 - pubs.rsc.org
The peroxyl radical scavenging activity of piceatannol has been studied in aqueous and
lipid solutions, using the density functional theory, and compared to that of its structural …
lipid solutions, using the density functional theory, and compared to that of its structural …
Electron propagator theory: foundations and predictions
HH Corzo, JV Ortiz - Advances in Quantum Chemistry, 2017 - Elsevier
Electron propagator theory is an efficient means to accurately calculating electron binding
energies and associated Dyson orbitals that is systematically improvable and easily …
energies and associated Dyson orbitals that is systematically improvable and easily …
Synthesis, molecular properties prediction and anticancer, antioxidant evaluation of new edaravone derivatives
N Polkam, VR Ramaswamy, P Rayam… - Bioorganic & Medicinal …, 2016 - Elsevier
A series of new edaravone derivatives 3–7 have been synthesized, characterised using
various spectroscopic techniques and screened for their in vitro anti-cancer, antioxidant …
various spectroscopic techniques and screened for their in vitro anti-cancer, antioxidant …
Catalytic and Multicomponent Reactions for Green Synthesis of Some Pyrazolone Compounds and Evaluation as Antimicrobial Agents
A green synthetic approach and facile method was developed to produce pyrazole
compounds (6a–d) by the reaction of ethyl acetoacetate (1), hydrazines (2a–d), and catalytic …
compounds (6a–d) by the reaction of ethyl acetoacetate (1), hydrazines (2a–d), and catalytic …
Influence of substituents on the reduction potential and pKa values of β-diketones tautomers: A theoretical study
AA Adeniyi, J Conradie - Electrochimica Acta, 2019 - Elsevier
Insight is provided into the reduction potential, pK a, energy of deprotonation and other
electronic properties of eleven keto-enol tautomers of β-diketone derivatives, using density …
electronic properties of eleven keto-enol tautomers of β-diketone derivatives, using density …
ASURE Clinical Trial Protocol: A Randomized, Placebo-Controlled, Proof-of-Concept Study Aiming to Evaluate Safety and Target Engagement Following …
M Oosthoek, A Lili, A Almeida, O Van Loosbroek… - The Journal of …, 2023 - Springer
Background Alzheimer's disease (AD) is a neurodegenerative disease with complex
disease etiology and pathological processes. These include formation of plaques and …
disease etiology and pathological processes. These include formation of plaques and …