Evidence map›Paper›PMID 32474655›Full record

ArticleJournal of molecular modeling2020

Binding modes of cabazitaxel with the different human β-tubulin isotypes: DFT and MD studies.

Lijuan Zhu, Chao Zhang, Xudong Lü, Ce Song, Cuihong Wang, Meiling Zhang, Yaoming Xie, Henry F Schaefer

Abstract read
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In one paragraph

Article in Journal of molecular modeling, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.

0numbers the graph read from it
0cells of the map it votes in
8citing papers in PubMed
0.9field-weighted citation impact, top 30% 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

8 citing papers in PubMed, 10 citations in OpenAlex.

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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

8 authors at 4 institutions in 3 countries.

Lijuan ZhuSchool of Biomedical Engineering and Technology, Tianjin Medical University, 22 Qixiangtai Road, Tianjin, 300070, China.
Chao ZhangSchool of Biomedical Engineering and Technology, Tianjin Medical University, 22 Qixiangtai Road, Tianjin, 300070, China.
Xudong LüSchool of Biomedical Engineering and Technology, Tianjin Medical University, 22 Qixiangtai Road, Tianjin, 300070, China.
Ce SongHefei National Laboratory of Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, 230026, Anhui, China.
Cuihong WangSchool of Science, Tianjin Chengjian University, 26 Jinjing road, Tianjin, 300384, China.
Meiling ZhangSchool of Biomedical Engineering and Technology, Tianjin Medical University, 22 Qixiangtai Road, Tianjin, 300070, China. mlzhang@tmu.edu.cn.
Yaoming XieCenter for Computational Quantum Chemistry, University of Georgia, Athens, GA, 30602, USA.
Henry F SchaeferCenter for Computational Quantum Chemistry, University of Georgia, Athens, GA, 30602, USA.
Tianjin Medical University · CNUniversity of Georgia · USKTH Royal Institute of Technology · SETianjin Chengjian University · CN

Funding

China Postdoctoral Science Foundation 20100470792National Natural Science Foundation of China 10904111National Natural Science Foundation of China 11604238National Science Foundation CHE-1661604Tianjin Natural Science Foundation 11JCYBJC14500
6 · The paper itself

Abstract

Taxanes (paclitaxel, docetaxel, cabazitaxel) are anticancer drugs as microtubule inhibitors. Following our previous studies on paclitaxel and docetaxel, in this work, we examine cabazitaxel and compare these three taxenes. The binding interaction of three taxanes with various β-tubulin isotypes is studied by homology modeling, molecular docking, and molecular dynamics simulations. The results show that the effects of docetaxel on βI-tubulin (- 29.5 kcal/mol) and of paclitaxel on βIIa-tubulin (- 25.5 kcal/mol) are much stronger than their effects on βIII-tubulin (- 17.8 kcal/mol and - 8.6 kcal/mol, respectively). However, the effect of cabazitaxel on βIII-tubulin (- 23.0 kcal/mol) is comparable with that on βI-tubulin (- 24.0 kcal/mol) and βIIa-tubulin (- 25.9 kcal/mol), consistent with the fact that overexpression of βIII-tubulin increases the drug resistance to paclitaxel and docetaxel, but has little influence for cabazitaxel. This theoretical research supports the use of cabazitaxel for patients who are resistant to the action of paclitaxel and docetaxel.

Indexed as

Antineoplastic AgentsDocetaxelDrug Resistance, NeoplasmHumansMicrotubulesMolecular Docking SimulationMolecular Dynamics SimulationPaclitaxelTaxoidsThermodynamicsTubulinTubulin ModulatorsAntineoplastic AgentscabazitaxelDocetaxelPaclitaxelTaxoidsTubulinTubulin ModulatorsCabazitaxelDFT methodsDrug resistanceMD simulationsTaxenesβ-Tubulin isotypes

Identifiers

PMID32474655
OpenAlexW3032466706

What OpenQuestion holds

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Registered trials

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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.