ArticleNAM journal2025
Pharmacophore modeling, 2D-QSAR, drug likeness and toxicity prediction of 2-aziridinyl- and 2,3-bis(aziridinyl)-1,4-naphthoquinonyl sulfonate and acylate derivatives as multifunctional agents for the treatment of malaria parasite,
Article in NAM journal, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
What it found
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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.
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.
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Who cites it
3 citing papers in PubMed.
- Introducing tetracycline as a potential OXA-48 carbapenemase inhibitor: an in silico and in vitro approach.Scientific reports · 2026Article
- Potent LeuBAT inhibitors designed in silico as next-generation duloxetine analogs for enhanced major depressive disorder treatment.Scientific reports · 2026Article
- Article
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Authors and funding
6 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Pharmacophore modeling, QSAR, molecular docking, in silico ADME, and toxicity prediction have been conducted on 2-aziridinyl- and 2,3-bis(aziridinyl)-1,4-naphthoquinonyl sulfonate and acylate-based malaria parasite inhibitors. In this study, we aim to clarify the binding mode and drug-likeness of these derivatives. Ultimately, 63 compounds were utilized to develop a model. The model was statistically significant, exhibiting a high correlation coefficient (R² = 0.8066), a cross-validation coefficient (Q²
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Registered trials
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