Evidence map›Paper›PMID 33974175›Full record

ArticleMolecular diversity2022

QSAR analysis of 3-pyrimidin-4-yl-oxazolidin-2-one derivatives isocitrate dehydrogenase inhibitors using Topomer CoMFA and HQSAR methods.

Jian-Bo Tong, Shuai Bian, Xing Zhang, Ding Luo

Abstract read
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In one paragraph

Article in Molecular diversity, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. Review
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.

Jian-Bo TongCollege of Chemistry and Chemical Engineering, Shaanxi University of Science and Technology, Xi'an, 710021, China. jianbotong@aliyun.com.ORCID http://orcid.org/0000-0001-5536-2701
Shuai BianCollege of Chemistry and Chemical Engineering, Shaanxi University of Science and Technology, Xi'an, 710021, China.
Xing ZhangCollege of Chemistry and Chemical Engineering, Shaanxi University of Science and Technology, Xi'an, 710021, China.
Ding LuoCollege of Chemistry and Chemical Engineering, Shaanxi University of Science and Technology, Xi'an, 710021, China.

Funding

Natural Science Foundation of Jilin Province 21475081Natural Science Foundation of Shaanxi Province 2019JM -237
6 · The paper itself

Abstract

A series of mIDH1 inhibitors derived from 3-pyrimidine-4-oxazolidin-2-ketone derivatives were studied by QSAR model to explore the key factors that inhibit mIDH1 activity. The generated model was cross-verified and non-cross-verified by Topomer CoMFA and HQSAR methods; the independent test set was verified by PLS method; the Topomer search technology was used for virtual screening and molecular design; and the Surflex-Dock method and ADMET technology were used for molecular docking, pharmacology and toxicity prediction of the designed drug molecules. The Topomer CoMFA and HQSAR cross-validation coefficients q

Indexed as

OxazolidinonesQuantitative Structure-Activity RelationshipEnzyme InhibitorsIsocitrate DehydrogenaseMolecular Docking SimulationEnzyme InhibitorsIsocitrate DehydrogenaseOxazolidinonesADMETHQSARMIDH1QSARTopomer CoMFA

Identifiers

PMID33974175

What OpenQuestion holds

Textmetadata
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.