Long · 2025 · BMC pharmacology & toxicology
Clinical synthesis and computational target exploration
What do pooled clinical outcomes and molecular target predictions each tell us?
Literature synthesis + computational biology and target prediction
Key findings
SRS differences during some intervals
SRS reductions at weeks 4–5 and 8–10 were reported as significant versus placebo.
Candidate targets are predictions.
Ten candidate targets were proposed, including AKT1, STAT1, and MMP9.
Mechanistic pathways explored with computational models
Docking and network analyses predicted potential molecular binding and pathways.
Detailed results
Clinical outcomes were divided by duration.
Data from six trials involving 333 participants were pooled, with social responsiveness and behavior scores analyzed by follow-up period. SRS fell more than placebo at weeks 4–5 and 8–10, although results varied substantially between studies.
| Assessment period | SMD · 95% confidence interval | Between-study heterogeneity I² |
|---|---|---|
| 4–5 weeks | −0.98 · −1.69~−0.28 | 77% |
| 8–10 weeks | −1.11 · −2.11~−0.12 | 88% |
I² measures inconsistency across study results. SMD expresses differences between scales as an effect size in standard-deviation units.
Results at later time points and within behavioral subdomains
The SRS analyses at 18, 22, and 36 weeks showed no significant differences. On ABC, inappropriate speech differed significantly at weeks 8–15; hyperactivity was borderline, with a confidence interval that included zero.
Ten candidate targets explored with computational models
Separate from the clinical synthesis, the authors analyzed network pharmacology, genetic and gene-expression data, molecular docking, and dynamics models. They proposed AKT1, STAT1, MMP9, and other candidates and explored pathways including inflammation and autophagy.
Docking computes the likelihood that a molecule binds a particular protein. This study used computational models to propose mechanistic hypotheses for later experimental testing.
Study design
Earlier trial results were pooled, then network pharmacology, genetic data, molecular docking, and other methods were used to explore possible targets.
- Participants
- Six controlled trials · 333 participants total
Separate analyses of molecular targets and genetic data - Intake and observation
- Literature search through February 21, 2025
Meta-analysis, network analysis, docking, and other methods - Measures
- SRS and ABC by duration, adverse events, and candidate molecular targets and pathways
Study context
A meta-analysis of six earlier trials was combined with molecular target predictions using computational models.
Original paper and sources
Investigating the clinical efficacy, safety and molecular mechanism of sulforaphane in autism spectrum disorder: an integrated study combining meta-analysis, network pharmacology, and computational biology.
- Journal
- BMC pharmacology & toxicology · 2025 · 26(1): 217
- First published
- 2025-11-22