ReviewPharmaceutics2025
In Silico ADME Methods Used in the Evaluation of Natural Products.
Review in Pharmaceutics, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed.
- In vitro study and in silico reveal Teucrium Polium L. methanolic extract as an apoptosis inducer and a potential Bcl-2 inhibitor for breast cancer.Saudi pharmaceutical journal : SPJ : the official publication of the Saudi Pharmaceutical Society · 2026Article
- Synthesis, computational studies, and biological evaluation of novel cyanoacrylamides as potential anticancer agents.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- Central toxic effects of an antitumoral bufadienolide: In silico targets and in vivo findings.Naunyn-Schmiedeberg's archives of pharmacology · 2026Article
- PreliminaryLife (Basel, Switzerland) · 2026Article
- Chemical Characterization and Bioactive Potential ofMolecules (Basel, Switzerland) · 2026Article
- ADMET-vault: an interactive framework for real-time ADMET prediction and molecular optimization.Journal of computer-aided molecular design · 2026Article
- Therapeutic Applications of Natural Products in Biomedicine and Pharmacotherapy.Life (Basel, Switzerland) · 2026Review
- Synthesis of new pyrazolo[3,4-d]pyrimidines as potential mutant EGFR/HER2 and Bcl2 inhibitors: anticancer evaluation, DFT, molecular docking and ADME studies.BMC chemistry · 2026Article
- Wogonin-mediated modulation of cellular signaling pathways: Mechanistic insights into neuroprotection.Molecular biology reports · 2026Review
- Postbiotic Metabolites of Proanthocyanidins Reduce Adipogenesis In Vitro by Suppressing De Novo Lipogenesis.Molecules (Basel, Switzerland) · 2026Article
- GNPS Untargeted GC-MS Metabolomic Analysis of Essential Oils From Duguetia lanceolata and Evaluation of Antimicrobial Activity.Chemistry & biodiversity · 2026Article
- Polyphenols from Byproducts: Their Applications and Health Effects.Antioxidants (Basel, Switzerland) · 2026Review
- Integrative Network Pharmacology and Molecular Docking-Based Validation of Berberine as a Therapeutic Agent in Arsenic-Induced Cardiotoxicity.Cardiovascular toxicology · 2026Article
- Novel 1,2,4-Triazole-Thiopyrimidine Hybrids as COX-2 Inhibitors: Synthesis, ADME Profiling, Antioxidant Activity, and Molecular Docking.BioMed research international · 2026Article
- In silico pharmacological analysis of Tinospora cordifolia compounds targeting African swine fever virus B175L.PloS one · 2026Article
- Towards Explainable Computational Toxicology: Linking Antitargets to Rodent Acute Toxicity.Pharmaceutics · 2025Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The pharmaceutical industry faces significant challenges when promising drug candidates fail during development due to suboptimal ADME (absorption, distribution, metabolism, excretion) properties or toxicity concerns. Natural compounds are subject to the same pharmacokinetic considerations. In silico approaches offer a compelling advantage-they eliminate the need for physical samples and laboratory facilities, while providing rapid and cost-effective alternatives to expensive and time-consuming experimental testing. Computational methods can often effectively address common challenges associated with natural compounds, such as chemical instability and poor solubility. Through a review of the relevant scientific literature, we present a comprehensive analysis of in silico methods and tools used for ADME prediction, specifically examining their application to natural compounds. Whereas we focus on identifying the predominant computational approaches applicable to natural compounds, these tools were developed for conventional drug discovery and are of general use. We examine an array of computational approaches for evaluating natural compounds, including fundamental methods like quantum mechanics calculations, molecular docking, and pharmacophore modeling, as well as more complex techniques such as QSAR analysis, molecular dynamics simulations, and PBPK modeling.
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Registered trials
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.