Current trends in computational quantum chemistry studies on antioxidant radical scavenging activity
M Spiegel - Journal of Chemical Information and Modeling, 2022 - ACS Publications
The antioxidative nature of chemicals is now routinely studied using computational quantum
chemistry. Scientists are constantly proposing new approaches to investigate those …
chemistry. Scientists are constantly proposing new approaches to investigate those …
Antioxidant motifs in flavonoids: O–H versus C–H bond dissociation
Flavonoids provide potential health benefits due to their antioxidant properties. The
antioxidant activity of natural flavonoids is primarily exerted by phenolic hydroxyl groups; …
antioxidant activity of natural flavonoids is primarily exerted by phenolic hydroxyl groups; …
[HTML][HTML] Primary and secondary antioxidant properties of scutellarin and scutellarein in water and lipid-like environments: A theoretical investigation
The scavenging capability of scutellarin flavonoid against the OOH radical has been studied,
at Density Functional level of theory, by considering different reaction mechanisms in both …
at Density Functional level of theory, by considering different reaction mechanisms in both …
Theoretical study on the free radical scavenging potency and mechanism of natural coumestans: Roles of substituent, noncovalent interaction and solvent
M Chen, Z Li, G Sun, S Jin, X Hao, C Zhang, L Liu… - Phytochemistry, 2023 - Elsevier
The free radical scavenging potency and mechanisms of seven representative natural
coumestans were systematically evaluated using density functional theory (DFT) approach …
coumestans were systematically evaluated using density functional theory (DFT) approach …
Antioxidant and copper-chelating power of new molecules suggested as multiple target agents against Alzheimer's disease. A theoretical comparative study
In this study, the scavenging activity against OOH radicals and the copper-chelating ability of
two new synthesized molecules (named L1 and L2) that can act as multiple target agents …
two new synthesized molecules (named L1 and L2) that can act as multiple target agents …
On the scavenging ability of scutellarein against the OOH radical in water and Lipid-like environments: A Theoretical study
The antioxidant capability of scutellarein, a flavonoid extracted from different plants of the
Scutellaria family, was computationally predicted by considering its reaction with the OOH …
Scutellaria family, was computationally predicted by considering its reaction with the OOH …
Computational investigation on the antioxidant activities and on the Mpro SARS-CoV-2 non-covalent inhibition of isorhamnetin
In the present work, we report a computational study on some important chemical properties
of the flavonoid isorhamnetin, used in traditional medicine in many countries. In the course …
of the flavonoid isorhamnetin, used in traditional medicine in many countries. In the course …
In silico study of the radical scavenging activities of natural indole-3-carbinols
QV Vo, A Mechler - Journal of Chemical Information and Modeling, 2019 - ACS Publications
Enzymatic hydrolysis of indole glucosinolates in the human body yields the Indole-3-
carbinol family of compounds (I3Cs). I3Cs are implicated in the self-healing processes of the …
carbinol family of compounds (I3Cs). I3Cs are implicated in the self-healing processes of the …
Insight into antioxidant and photoprotective properties of natural compounds from marine fungus
This computational and experimental work aims to elucidate physicochemical and
photophysical natures of free radical scavenging and ultraviolet radiation (UVR) filtering …
photophysical natures of free radical scavenging and ultraviolet radiation (UVR) filtering …
[HTML][HTML] On the dual role of (+)-catechin as primary antioxidant and inhibitor of viral proteases
Natural antioxidants have become the subject of many investigations due to the role that
they play in the reduction of oxidative stress. Their main scavenging mechanisms concern …
they play in the reduction of oxidative stress. Their main scavenging mechanisms concern …