QSAR Modeling and Biological Testing of Some 15-LOX Inhibitors in a Series of Homo- and Heterocyclic Compounds.

Veronika Khairullina, Yuliya Martynova, Matvey Kanevsky, Irina Kanevskaya, Yurii Zimin, Leonid Maksimov

Abstract read

In one paragraph

Article in Molecules (Basel, Switzerland), 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it

0cells of the map it votes in

0citing papers in PubMed

–field-weighted citation impact

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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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

6 authors.

Veronika KhairullinaInstitute of Chemistry and Protection in Emergency Situations, Ufa University of Science and Technology, 50076 Ufa, Russia.

Yuliya MartynovaInstitute of Chemistry and Protection in Emergency Situations, Ufa University of Science and Technology, 50076 Ufa, Russia.ORCID 0000-0001-6603-0956

Matvey KanevskyFaculty of Biology, Saratov State University, 410012 Saratov, Russia.ORCID 0000-0002-5932-6748

Irina KanevskayaInstitute of Chemistry, Saratov State University, 410012 Saratov, Russia.ORCID 0000-0002-3981-8032

Yurii ZiminInstitute of Chemistry and Protection in Emergency Situations, Ufa University of Science and Technology, 50076 Ufa, Russia.

Leonid MaksimovInstitute of Chemistry and Protection in Emergency Situations, Ufa University of Science and Technology, 50076 Ufa, Russia.

Funding

Russian Science Foundation 19-73-20073

6 · The paper itself

Abstract

This paper examines the quantitative structure-inhibitory activity relationship of 15-lipoxygenase (15-LOX) in sets of 100 homo- and heterocyclic compounds using GUSAR 2019 software. Statistically significant valid models were built to predict the IC50 parameter. A combination of MNA and QNA descriptors with three whole molecular descriptors (topological length, topological volume and lipophilicity) was used to develop 18 statistically significant, valid consensus QSAR models. These compounds showed varying degrees of inhibition of the catalytic activity of 15-LOX: the range of variation in the pIC

Indexed as

Arachidonate 15-LipoxygenaseHeterocyclic CompoundsLipoxygenase InhibitorsQuantitative Structure-Activity RelationshipHumansModels, MolecularMolecular StructureArachidonate 15-LipoxygenaseHeterocyclic CompoundsLipoxygenase Inhibitors15-LOXGUSAR 2019 programinhibitors of 15-lipoxygenaseMNA descriptorsQNA descriptorsQSAR modelsstructure–activity relationships

Identifiers

PMID39683700

DOI10.3390/molecules29235540

PMCPMC11643787

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.