Recent advances in the antioxidant activity and mechanisms of chalcone derivatives: A computational review
In this review, we have reported the antioxidant mechanisms and structure-antioxidant
activity relationship of several chalcone derivatives, investigated in the recent past, based on …
activity relationship of several chalcone derivatives, investigated in the recent past, based on …
Why Do Dietary Flavonoids Have a Promising Effect as Enhancers of Anthracyclines? Hydroxyl Substituents, Bioavailability and Biological Activity
A Golonko, AJ Olichwier, R Swislocka… - International Journal of …, 2022 - mdpi.com
Anthracyclines currently play a key role in the treatment of many cancers, but the limiting
factor of their use is the widespread phenomenon of drug resistance and untargeted toxicity …
factor of their use is the widespread phenomenon of drug resistance and untargeted toxicity …
[HTML][HTML] The mechanistic insights into the role of pH and solvent on antiradical and prooxidant properties of polyphenols—Nine compounds case study
Polyphenols are the most widely intake exogenous antioxidants. Their properties prevent
the accumulation of radicals in the body and the development of oxidative stress, a …
the accumulation of radicals in the body and the development of oxidative stress, a …
[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 …
Analytical and theoretical studies of antioxidant properties of chosen anthocyanins; a structure-dependent relationships
A Dudek, M Spiegel, P Strugała-Danak… - International Journal of …, 2022 - mdpi.com
The relationship between the structure and the antiradical and antioxidant activities of three
anthocyanidins, namely peonidin, petunidin, and delphinidin, and their glucosides was …
anthocyanidins, namely peonidin, petunidin, and delphinidin, and their glucosides was …
Synthesis, characterization, and DFT calculations of a new sulfamethoxazole schiff base and its metal complexes
JI Al-Hawarin, AA Abu-Yamin, AAAA Abu-Saleh… - Materials, 2023 - mdpi.com
A new Schiff base, 4-((1E, 2E)-3-(furan-2-yl) allylidene) amino)-N-(5-methylisoxazol-3-yl)
benzene-sulfonamide (L), was synthesized by thermal condensation of 3-(2-furyl) acrolein …
benzene-sulfonamide (L), was synthesized by thermal condensation of 3-(2-furyl) acrolein …
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 …
Quantum-mechanical characteristics of apigenin: Antiradical, metal chelation and inhibitory properties in physiologically relevant media
Density functional theory was used to examine the antioxidant activity of apigenin. All
protonated species that are present in a non-negligible population at physiological pH were …
protonated species that are present in a non-negligible population at physiological pH were …
Theoretical Insights into the Oxidative Stress-Relieving Properties of Pinocembrin─ An Isolated Flavonoid from Honey and Propolis
M Spiegel - The Journal of Physical Chemistry B, 2023 - ACS Publications
Bee products are a valuable group of substances that have a wide range of applications for
humans. They contain a high level of polyphenolic compounds, which have been shown to …
humans. They contain a high level of polyphenolic compounds, which have been shown to …
[HTML][HTML] 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 …