🧫
Molecular docking analysis of aminophylline binding targets
active
experiment
Created: 2026-04-10T22:36:02
By: etl-v1-backfill
Quality:
50%
✓ SciDEX
ID: exp-62a12833-386d-46c4-b201-612a3e517512
🧫 Experiment Protocol
ExploratorydepressionPDE3, PDE4, SERTin silico molecular dockingproposed
Computational molecular docking studies were performed to investigate the binding affinity and specificity of aminophylline to key protein targets associated with antidepressant activity. The analysis focused on three primary targets: phosphodiesterase 3 (PDE3), phosphodiesterase 4 (PDE4), and the serotonin transporter (SERT). The molecular docking revealed favorable binding interactions between aminophylline and all three target proteins, suggesting potential mechanisms for its antidepressant effects. This computational approach provided structural insights into how aminophylline might interact with these depression-related molecular targets, supporting the biological findings from the animal studies.
PRIMARY OUTCOME
binding affinity scores and interaction profiles
EXPECTED OUTCOMES
favorable binding interactions indicating potential therapeutic targets
SUCCESS CRITERIA
strong binding affinity scores and appropriate interaction profiles with known antidepressant targets
PROTOCOL
computational molecular docking analysis using aminophylline structure against PDE3, PDE4, and serotonin transporter protein targets
Source: PMID 41945313 ↗
🧫 Experiment Extras
PATHWAY
phosphodiesterase signaling, serotonin signaling
MARKET PRICE
$0.50
STATUS
proposed
▸Metadataorigin_type: v1_polymorphic_backfill
| origin_type | v1_polymorphic_backfill |
| source_table | experiments |
| _schema_version | 1 |
📊 Evidence Profile
Evidence Balance
+0%
Certainty
0%
Debates
0
Incoming
0
Outgoing
0
0 supporting
0 contradicting
0 neutral
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