ArticleIn silico pharmacology2025
In silico evaluation of berberine and silymarin against metabolic targets: a rationale for OMICS technology-based co-formulation.
Article in In silico pharmacology, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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.
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.
Who cites it
2 citing papers in PubMed.
- A tri-target in silico analysis of Testolift: a nutraceutical formulation targeting aromatase, myostatin, and prolyl hydroxylase-2 in testosterone regulation and muscle performance.Scientific reports · 2026Article
- Berberine and its structural diversity: structure-activity relationships, molecular mechanisms, and drug discovery opportunities.Molecular biology reports · 2026Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Berberine and silymarin are phytochemicals with established pleiotropic effects across glucose, lipid, and inflammatory pathways, making them promising candidates for managing metabolic disorders such as type 2 diabetes mellitus (T2DM) and dyslipidaemia. However, their clinical translation is hindered by poor solubility, low permeability, and metabolic instability. This study aimed to evaluate the pharmacokinetic and pharmacodynamic profiles of berberine and silymarin using in silico tools and propose a rational design for an OMICS technology-based co-formulation to enhance their therapeutic potential. Comprehensive in silico analyses were performed, including molecular docking against DPP4, PTP1B, PCSK9, and P38MAPK, ADMET profiling, CYP450 interaction prediction, toxicity screening, and canonical SMILES-based structural assessment. Berberine showed good GI and BBB permeability with strong target binding (- 7.1 to - 8.0 kcal/mol) but presented liabilities including P-gp efflux and CYP inhibition. Silymarin exhibited stronger docking scores (up to - 9.0 kcal/mol) and favourable safety but limited permeability. Their complementary profiles support co-formulation. Findings support the development of an OMICS technology-based lipid-protein encapsulated formulation to overcome pharmacokinetic barriers and enhance synergistic efficacy. This approach holds promise for optimized multi-target management of T2DM and related metabolic disorders.
Indexed as
Identifiers
What OpenQuestion holds
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.