ArticleBMC pharmacology & toxicology2025
Identification of potential natural BCL-2 inhibitors for leukemia through an integrated virtual screening approach.
Article in BMC pharmacology & toxicology, 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.
- Multiscale predictive cellular modeling: integrating hypothesis grammars, digital twins, and multi-omics for In silico oncology and precision theranostics.Functional & integrative genomics · 2026Review
- Rational design and comparative docking and simulation of modified FLT3 inhibitors: a study on enhanced binding stability and inhibition potency.Journal of molecular modeling · 2026Article
- Computer-aided drug design in acute myeloid leukemia: a comprehensive review of advances, challenges, and future prospect.Journal of computer-aided molecular design · 2026Review
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Leukemia, a hematologic malignancy, frequently involves the overexpression of BCL-2 proteins, contributing to cell survival and apoptosis resistance. Although current BCL-2 inhibitors, including Venetoclax, have shown efficacy, they are limited by adverse side effects and restricted bioavailability. This study employs an integrated computational approach to identify natural BCL-2 inhibitors by screening 407,270 natural compounds. Using ligand- and structure-based virtual screening, we identified two promising compounds, CNP0237679 and CNP0420384, demonstrating strong binding affinities, favorable electronic properties, and stability in dynamic aqueous environments. Both compounds exhibited promising toxicity and pharmacokinetic profiles, indicating the possibility of low toxicity and high bioavailability. They are potential candidates for developing selective BCL-2 inhibitors because of these characteristics. The findings represent a positive step in developing new, naturally derived BCL-2 inhibitors and support additional in vitro and in vivo studies to validate their therapeutic efficacy and safety characteristics.
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Registered trials
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