Evidence map›Paper›PMID 42115733›Full record

ArticleScientific reports2026

Insights into SIRT2 inhibition from machine learning-assisted multi-level screening of the NCI database.

Laila Abdulmohsen Jaragh-Alhadad, Alaa H M Abdelrahman, Peter A Sidhom, Moustafa S Moustafa, Mahmoud A A Ibrahim

Abstract read
In one paragraph

Article in Scientific reports, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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.

Laila Abdulmohsen Jaragh-AlhadadChemistry Department, Faculty of Science, Kuwait University, P.O. Box 5969, Safat, 13060, Kuwait. laila.alhadad@ku.edu.kw.
Alaa H M AbdelrahmanComputational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt.
Peter A SidhomDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta, 31527, Egypt.
Moustafa S MoustafaChemistry Department, Faculty of Science, Kuwait University, P.O. Box 5969, Safat, 13060, Kuwait.
Mahmoud A A IbrahimComputational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt. m.ibrahim@compchem.net.

Funding

Kuwait University SC05/24
6 · The paper itself

Abstract

The nicotinamide adenine dinucleotide (NAD+)-dependent deacetylase Sirtuin 2 (SIRT2) plays a regulatory function in diverse cellular processes and has been linked to aging and the development of neurodegenerative and cancerous diseases. Consequently, targeting SIRT2 has emerged as a promising anticancer therapeutic strategy; however, currently available SIRT2 inhibitors and modulators often exhibit limited potency and suboptimal selectivity. Herein, the NCI database, containing more than 230,000 compounds, was systematically screened using an optimized AttentiveFP model to identify small molecules with potential SIRT2-inhibitory activity. The trained model predicted 23,238 NCI compounds as potentially active, which were subsequently subjected to docking computations against SIRT2. Upon docking estimations, the top-ranked NCI compounds bound to SIRT2 were advanced for molecular dynamics simulations (MDS) throughout 300 ns, along with binding energy (ΔG

Indexed as

Histone Deacetylase InhibitorsMachine LearningSirtuin 2HumansMolecular Docking SimulationMolecular Dynamics SimulationNational Cancer Institute (U.S.)Protein BindingHistone Deacetylase InhibitorsSIRT2 protein, humanSirtuin 2DFT computationsML-based virtual screeningMolecular dynamics simulationsNCI databaseSIRT2

Identifiers

PMID42115733
PMCPMC13350722

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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.