Evidence map›Paper›PMID 40837276›Full record

ArticleDrug design, development and therapy2025

Benchmarking the Structure-Based Virtual Screening Performance of Wild-Type and Resistant

Menna S Hany, Nermin S Ahmed, Frank M Boeckler, Tamer M Ibrahim

Abstract read
PubMed Full text at PMC Publisher
In one paragraph

Article in Drug design, development and therapy, 2025. 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

4 authors.

Menna S HanyPharmaceutical Chemistry Department, Faculty of Biotechnology, German International University, Cairo, Egypt.ORCID 0000-0002-2354-7725
Nermin S AhmedPharmaceutical Chemistry Department, Faculty of Pharmacy and Biotechnology, German University in Cairo, Cairo, Egypt.
Frank M BoecklerLaboratory for Molecular Design & Pharmaceutical Biophysics, Institute of Pharmaceutical Sciences, Department of Pharmacy and Biochemistry, Eberhard Karls Universität Tübingen, Tuebingen, 72076, Germany.ORCID 0000-0001-8738-6716
Tamer M IbrahimDepartment of Pharmaceutical Chemistry, Faculty of Pharmacy, Kafrelsheikh University, Kafrelsheikh, 33516, Egypt.ORCID 0000-0003-1016-8950

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Purpose: Malaria, caused by the parasite Methods: Three generic docking tools (AutoDock Vina, PLANTS, and FRED) were evaluated using the DEKOIS 2.0 benchmark set against both WT and Q Results: Overall, eighteen docking and re-scoring outcomes for both variants were conducted. For the WT Conclusion: The findings demonstrate that re-scoring with CNN-Score consistently augments the SBVS performance and enriches diverse and high-affinity binders for both

Indexed as

AntimalarialsFolic Acid AntagonistsMachine LearningMolecular Docking SimulationPlasmodium falciparumTetrahydrofolate DehydrogenaseBenchmarkingDrug ResistanceHumansMolecular StructureProtozoan ProteinsStructure-Activity RelationshipAntimalarialsDHFR protein, Plasmodium falciparumFolic Acid AntagonistsProtozoan ProteinsTetrahydrofolate DehydrogenaseDEKOIS 2.0dockingmalariaMLSFs

Identifiers

PMID40837276
PMCPMC12363558

What OpenQuestion holds

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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.