Evidence map›Paper›PMID 34536069›Full record

ArticleChemMedChem2021

Radical Scavenging Potential of the Phenothiazine Scaffold: A Computational Analysis.

Marco Dalla Tiezza, Trevor A Hamlin, F Matthias Bickelhaupt, Laura Orian

Open access · hybridAbstract read
In one paragraph

Article in ChemMedChem, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.

0numbers the graph read from it
0cells of the map it votes in
9citing papers in PubMed
1.3field-weighted citation impact, top 22% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

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.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

9 citing papers in PubMed, 17 citations in OpenAlex.

  1. Article
  2. Article
  3. Review
  4. Article
  5. Article
  6. Article
  7. Antioxidant Properties of New Phenothiazine Derivatives.Antioxidants (Basel, Switzerland) · 2022
    Article
  8. Article
  9. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

4 authors at 3 institutions in 2 countries.

Marco Dalla TiezzaDipartimento di Scienze Chimiche, Università degli Studi di Padova, Via Marzolo 1, 35131, Padova, Italy.ORCID 0000-0003-3442-7654
Trevor A HamlinDepartment of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV, Amsterdam, The Netherlands.ORCID 0000-0002-5128-1004
F Matthias BickelhauptDepartment of Theoretical Chemistry, Amsterdam Institute of Molecular and Life Sciences (AIMMS), Amsterdam Center for Multiscale Modeling (ACMM), Vrije Universiteit Amsterdam, De Boelelaan 1083, 1081 HV, Amsterdam, The Netherlands.ORCID 0000-0003-4655-7747
Laura OrianDipartimento di Scienze Chimiche, Università degli Studi di Padova, Via Marzolo 1, 35131, Padova, Italy.ORCID 0000-0002-1673-5111
University of Padua · ITRadboud University Nijmegen · NLScientific Computing & Modelling (Netherlands) · NL

Funding

EC Research Innovation Action HPC-EUROPA3EC Research Innovation Action INFRAIA-2016-1-730897Università degli Studi di Padova P-DiSC - BIRD2018-UNIPD
6 · The paper itself

Abstract

The reactivity of phenothiazine (PS), phenoselenazine (PSE), and phenotellurazine (PTE) with different reactive oxygen species (ROS) has been studied using density functional theory (DFT) in combination with the QM-ORSA (Quantum Mechanics-based Test for Overall Free Radical Scavenging Activity) protocol for an accurate kinetic rate calculation. Four radical scavenging mechanisms have been screened, namely hydrogen atom transfer (HAT), radical adduct formation (RAF), single electron transfer (SET), and the direct oxidation of the chalcogen atom. The chosen ROS are HO

Indexed as

Density Functional TheoryDose-Response Relationship, DrugFree Radical ScavengersHydrogen PeroxideMolecular StructurePhenothiazinesStructure-Activity RelationshipFree Radical ScavengersHydrogen PeroxidephenothiazinePhenothiazinesAntioxidantsDensity functional calculationsRadical scavengingSeleniumSulfur

Identifiers

PMID34536069
PMCPMC9292796
OpenAlexW3199277521

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

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.