Evidence map›Paper›PMID 30182144›Full record

ArticleJournal of computer-aided molecular design2018

Discovery of novel wee1 inhibitors via structure-based virtual screening and biological evaluation.

Yaping Li, Yinglan Pu, Hui Liu, Li Zhang, Xingyong Liu, Yan Li, Zhili Zuo

Abstract read
PubMed Publisher
In one paragraph

Article in Journal of computer-aided molecular design, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

3 citing papers in PubMed.

  1. Review
  2. Article
  3. 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

7 authors.

Yaping LiState Key Laboratory of Phytochemistry and Plant Resources in West China, Kunming Institute of Botany, Chinese Academy of Sciences, Kunming, 650201, Yunnan, China.
Yinglan PuSchool of Chemical Engineering, Sichuan University of Science & Engineering, Zigong, 643000, Sichuan, China.
Hui LiuSchool of Chemical Engineering, Sichuan University of Science & Engineering, Zigong, 643000, Sichuan, China.
Li ZhangSchool of Chemical Engineering, Sichuan University of Science & Engineering, Zigong, 643000, Sichuan, China.
Xingyong LiuSchool of Chemical Engineering, Sichuan University of Science & Engineering, Zigong, 643000, Sichuan, China.
Yan LiState Key Laboratory of Phytochemistry and Plant Resources in West China, Kunming Institute of Botany, Chinese Academy of Sciences, Kunming, 650201, Yunnan, China. liyanb@mail.kib.ac.cn.
Zhili ZuoState Key Laboratory of Phytochemistry and Plant Resources in West China, Kunming Institute of Botany, Chinese Academy of Sciences, Kunming, 650201, Yunnan, China. zuozhili@mail.kib.ac.cn.ORCID 0000-0003-3576-2884

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Wee1 plays a critical role in the arrest of G2/M cell cycle for DNA repair before entering mitosis. Many cancer cells have been identified as overexpression of Wee1. In this research, pharmacophore modeling, molecular docking and molecular dynamics simulation approaches were constructed to identify novel potential Wee1 inhibitors. A compound 8 was found to have a novel skeleton against Wee1 with an IC

Indexed as

Binding SitesCell Cycle ProteinsCell Line, TumorCell SurvivalDatabases, ChemicalHumansHydrophobic and Hydrophilic InteractionsKineticsLigandsMolecular Docking SimulationMolecular Dynamics SimulationNuclear ProteinsProtein BindingProtein ConformationProtein Kinase InhibitorsProtein-Tyrosine KinasesCell Cycle ProteinsLigandsNuclear ProteinsProtein Kinase InhibitorsProtein-Tyrosine KinasesWEE1 protein, humanMolecular dockingMolecular dynamics simulationPharmacophore modelVirtual screeningWee1 inhibitors

Identifiers

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.