ArticleJournal of molecular modeling2026
Theoretical exploration of iseluxine as a promising natural antioxidant.
Article in Journal of molecular modeling, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 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
4 citing papers in PubMed.
- Theoretical evaluation of the antiradical activity of 1-Hydroxy-anhydrolycorin-7-one and anhydrolycorin-7-one from Lycoris aurea.Journal of molecular modeling · 2026Article
- Theoretical insights into the free radical scavenging mechanisms and metal chelating ability of lobelialsine: a DFT study.Journal of molecular modeling · 2026Article
- Thermodynamic and kinetic insights into the antiradical activity of epicoccone B: a computational study.Journal of molecular modeling · 2026Article
- A theoretical investigation of inotilone as a potential free radical scavenging agent.Journal of molecular modeling · 2026Article
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
contextIseluxine (ISL), an isoquinolinone alkaloid derived from Iseia luxurians, exhibits remarkable antioxidant potential, surpassing conventional antioxidants such as vitamin C and BHA in vitro. To clarify its radical-scavenging behavior, density functional theory (DFT) calculations were conducted against key reactive oxygen and nitrogen species (ROS and RNS), including HO
methodsDensity functional theory (DFT) calculations were performed using the M06-2X functional with the 6-31G(d,p)//6-311 + + G(d,p) basis set for single-point energy, geometry optimizations and kinetic calculations. Thermodynamic and kinetic parameters were obtained following the QM-ORSA protocol, combined with the SMD solvation model to simulate aqueous and pentylethanoate media.
Indexed as
Identifiers
41735695What OpenQuestion holds
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.