Evidence map›Paper›PMID 33918281›Full record

ArticleInternational journal of molecular sciences2021

In Silico Identification of Small Molecules as New Cdc25 Inhibitors through the Correlation between Chemosensitivity and Protein Expression Pattern.

Antonino Lauria, Annamaria Martorana, Gabriele La Monica, Salvatore Mannino, Giuseppe Mannino, Daniele Peri, Carla Gentile

Open access · goldAbstract read
In one paragraph

Article in International journal of molecular sciences, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.

0numbers the graph read from it
0cells of the map it votes in
9citing papers in PubMed
1.2field-weighted citation impact, top 22% 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

9 citing papers in PubMed, 17 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

7 authors at 2 institutions in 1 country.

Antonino LauriaDipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche "STEBICEF", University of Palermo, Viale delle Scienze Ed. 17, I-90128 Palermo, Italy.ORCID 0000-0002-5116-6815
Annamaria MartoranaDipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche "STEBICEF", University of Palermo, Viale delle Scienze Ed. 17, I-90128 Palermo, Italy.ORCID 0000-0002-9560-1882
Gabriele La MonicaDipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche "STEBICEF", University of Palermo, Viale delle Scienze Ed. 17, I-90128 Palermo, Italy.ORCID 0000-0001-6510-1943
Salvatore ManninoDipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche "STEBICEF", University of Palermo, Viale delle Scienze Ed. 17, I-90128 Palermo, Italy.
Giuseppe ManninoDepartment of Life Sciences and Systems Biology, Innovation Centre, University of Turin, Via Quarello 15/A, I-10135 Turin, Italy.ORCID 0000-0003-0047-978X
Daniele PeriDipartimento di Ingegneria, University of Palermo, Viale delle Scienze Ed. 6, I-90128 Palermo, Italy.ORCID 0000-0002-8763-7199
Carla GentileDipartimento di Scienze e Tecnologie Biologiche Chimiche e Farmaceutiche "STEBICEF", University of Palermo, Viale delle Scienze Ed. 17, I-90128 Palermo, Italy.ORCID 0000-0001-5861-3342
University of Palermo · ITUniversity of Turin · IT

Funding

PROGEMA-Processi Green per l'Estrazione di Principi Attivi e la Depurazione di Matrici di Scarto e Non ARS01_00432Università degli Studi di Palermo PJ_RIC_FFABR_2017_005832
6 · The paper itself

Abstract

The cell division cycle 25 (Cdc25) protein family plays a crucial role in controlling cell proliferation, making it an excellent target for cancer therapy. In this work, a set of small molecules were identified as Cdc25 modulators by applying a mixed ligand-structure-based approach and taking advantage of the correlation between the chemosensitivity of selected structures and the protein expression pattern of the proposed target. In the first step of the in silico protocol, a set of molecules acting as Cdc25 inhibitors were identified through a new ligand-based protocol and the evaluation of a large database of molecular structures. Subsequently, induced-fit docking (IFD) studies allowed us to further reduce the number of compounds biologically screened. In vitro antiproliferative and enzymatic inhibition assays on the selected compounds led to the identification of new structurally heterogeneous inhibitors of Cdc25 proteins. Among them, J3955, the most active inhibitor, showed concentration-dependent antiproliferative activity against HepG2 cells, with GI

Indexed as

Binding Sitescdc25 PhosphatasesCDC2 Protein KinaseComputer SimulationDrug DiscoveryDrug Screening Assays, AntitumorHep G2 CellsHumansLigandsMolecular Targeted TherapyPhosphorylationcdc25 PhosphatasesCDC2 Protein KinaseCDK1 protein, humanLigandsantiproliferative activityCdc25cell cycleDRUDITHepG2molecular docking

Identifiers

PMID33918281
PMCPMC8038176
OpenAlexW3146807722

What Socratic 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 Socratic graph.