Computational Analysis and Experimental Testing of the Molecular Mode of Action of Gatastatin and Its Derivatives.

Paola Vottero, Qian Wang, Marek Michalak, Maral Aminpour, Jack Adam Tuszynski

Open access · goldFull text read

In one paragraph

Article in Cancers, 2023. 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

0.2field-weighted citation impact, top 50% 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, 1 citations in OpenAlex.

Computational discovery of potential therapeutic agents against brain-eating amoeba (Naegleria fowleri).PloS one · 2025
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

5 authors at 1 institution in 2 countries.

Paola VotteroDepartment of Biomedical Engineering, University of Alberta, Edmonton, AB T6G 2V2, Canada.

Qian WangDepartment of Biochemistry, University of Alberta, Edmonton, AB T6G 2H7, Canada.

Marek MichalakDepartment of Biochemistry, University of Alberta, Edmonton, AB T6G 2H7, Canada.

Maral AminpourDepartment of Biomedical Engineering, University of Alberta, Edmonton, AB T6G 2V2, Canada.

Jack Adam TuszynskiDepartment of Physics, University of Alberta, Edmonton, AB T6G 2E9, Canada.ORCID 0000-0001-9976-0429

University of Alberta · CA

Funding

Natural Sciences and Engineering Research Council RGPIN-2018-03837

6 · The paper itself

Abstract

Given its critical role in cell mitosis, the tubulin γ chain represents a viable chemotherapeutic target to solve the specificity issues associated with targeting α and β tubulin. Since γ tubulin is overexpressed in glioblastoma multiforme (GBM) and some breast lesions, the glaziovianin A derivative gatastatin, presented as a γ-tubulin-specific inhibitor, could yield a successful therapeutic strategy. The present work aims to identify the binding sites and modes of gatastatin and its derivatives through molecular-docking simulations. Computational binding free energy predictions were compared to experimental microscale thermophoresis assay results. The computational simulations did not reveal a strong preference toward γ tubulin, suggesting that further derivatization may be needed to increase its specificity.

Indexed as

dockinggatastatinmicrotubulesmolecular dynamicstubulin

Identifiers

PMID36980600

DOI10.3390/cancers15061714

PMCPMC10046562

OpenAlexW4324092084

What OpenQuestion holds

Textfull text, public

LicenceCC BY

measurements read28

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.