QSAR Study, Molecular Docking and Molecular Dynamic Simulation of Aurora Kinase Inhibitors Derived from Imidazo[4,5-

Yang-Yang Tian, Jian-Bo Tong, Yuan Liu, Yu Tian

Open access · goldAbstract 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. Cited by 1 paper.

0numbers the graph read from it

0cells of the map it votes in

1citing papers in PubMed

2.9field-weighted citation impact, top 10% 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

1 citing paper in PubMed, 9 citations in OpenAlex.

AI-enabled language models (LMs) to large language models (LLMs) and multimodal large language models (MLLMs) in drug discovery and development.Journal of advanced research · 2025
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 at 2 institutions in 1 country.

Yang-Yang TianCollege of Petroleum Engineering, Xi'an Shiyou University, Xi'an 710065, China.

Jian-Bo TongCollege of Chemistry and Chemical Engineering, Shaanxi University of Science and Technology, Xi'an 710021, China.

Yuan LiuCollege of Chemistry and Chemical Engineering, Shaanxi University of Science and Technology, Xi'an 710021, China.

Yu TianCollege of Chemistry and Chemical Engineering, Shaanxi University of Science and Technology, Xi'an 710021, China.

Shaanxi University of Science and Technology · CNXi'an Shiyou University · CN

Funding

Natural Science Basic Research Program of Shaanxi 2021JQ-602Scientific Research Program Funded by Shaanxi Provincial Education Department 21JK0831the Graduate Innovation Fund of Shaanxi University of Science and Technology Nonethe National Natural Science Foundation of China 52204075the Natural Science Foundation of Shaanxi Province 2019JM -237Young Talent Fund of Association for Science and Technology in Shaanxi，China 20220454

6 · The paper itself

Abstract

Cancer is a serious threat to human life and social development and the use of scientific methods for cancer prevention and control is necessary. In this study, HQSAR, CoMFA, CoMSIA and TopomerCoMFA methods are used to establish models of 65 imidazo[4,5-

Indexed as

Molecular Docking SimulationMolecular Dynamics SimulationProtein Kinase InhibitorsPyridinesQuantitative Structure-Activity RelationshipAntineoplastic AgentsAurora KinasesHumansImidazolesAntineoplastic AgentsAurora KinasesImidazolesProtein Kinase InhibitorsPyridinesADMETAurora kinasefree energy landscapeMM/PBSAmolecular designingmolecular dockingmolecular dynamic simulationQSAR

Identifiers

PMID38675594

DOI10.3390/molecules29081772

PMCPMC11052498

OpenAlexW4394815926

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.