ArticleFrontiers in chemistry2023
Computational investigation on the antioxidant activities and on the M
Article in Frontiers in chemistry, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
8 citing papers in PubMed, 15 citations in OpenAlex.
- Antioxidant Power of Vitexin and Isovitexin Against OOH Radicals: A Comparative Theoretical Investigation.The Journal of organic chemistry · 2025Article
- Are Algae a Good Source of Antioxidants? Mechanistic Insights into Antiradical Activity of Eckol.International journal of molecular sciences · 2025Article
- Fisetin as a Blueprint for Senotherapeutic Agents - Elucidating Geroprotective and Senolytic Properties with Molecular Modeling.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
- A Comprehensive Experimental and Theoretical Investigation of the Antioxidant Properties of Hispidin and Isohispidin.The Journal of organic chemistry · 2025Article
- Unveiling the Antioxidative Potential of Galangin: Complete and Detailed Mechanistic Insights through Density Functional Theory Studies.The Journal of organic chemistry · 2024Article
- Theoretical Insights into the Oxidative Stress-Relieving Properties of Pinocembrin─An Isolated Flavonoid from Honey and Propolis.The journal of physical chemistry. B · 2023Article
- Computational assessment of the primary and secondary antioxidant potential of alkylresorcinols in physiological media.RSC advances · 2023Article
- The Therapeutic Potential of Natural Dietary Flavonoids against SARS-CoV-2 Infection.Nutrients · 2023Review
Corrections and comments
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Authors and funding
4 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
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 study we determined the acid-base equilibria in aqueous solution, the possible reaction pathways with the •OOH radical and the corresponding kinetic constants, the complexing capacity of copper ions, and the reduction of these complexes by reducing agents such as superoxide and ascorbic anion by using density functional level of theory Density Functional Theory. Finally, the non-covalent inhibition ability of the SARS-CoV-2 main protease enzyme by isorhamnetin was examined by molecular dynamics (MD) and docking investigation.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.