ArticleCureus2025
Nutraceuticals Targeting Cannabinoid Receptor 1 and Transient Receptor Potential Vanilloid 1 for Pain Relief: A Computational Screening Approach.
Article in Cureus, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
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.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
1 citing paper in PubMed.
- Integrative Medicine for Liver Fibrosis: Bioactive Constituents and Therapeutic Potential of Scutellaria baicalensis.Chinese journal of integrative medicine · 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
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
objectiveThis study examined the binding affinities and therapeutic potential of natural products targeting pain-related receptors using molecular docking and molecular dynamics (MD) simulations. Drug-like properties and absorption, distribution, metabolism, excretion, and toxicity (ADMET) analyses were also conducted.
methodsAutoDock Vina (The Scripps Research Institute, La Jolla, CA, USA) was used for docking against pain-related receptors, including transient receptor potential vanilloid 1 (TRPV1), cyclooxygenase-2 (COX-2), cannabinoid receptor 1 (CB1), mu-opioid receptor, and nicotinic acetylcholine receptors. Celecoxib was included as a reference drug for docking score comparison. Protein-ligand complex stability was assessed via 100-nanosecond (ns) MD simulations using GROMACS (GROningen MAchine for Chemical Simulations; the University of Groningen, Netherlands), analyzing root mean square deviation (RMSD) and radius of gyration (Rg). Drug-likeness was evaluated by Lipinski's rule of five, and ADMET analysis was performed for pharmacokinetics and toxicity profiling.
resultsGinsenoside Rb1 exhibited a strong affinity for TRPV1 (-9.5 kcal/mol) and mu-opioid (-9.0 kcal/mol) receptors, suggesting its potential as a non-opioid analgesic candidate. Cyanidin 3-O-rutinoside demonstrated high binding to TRPV1 (-9.35 kcal/mol), COX-2 (-9.65 kcal/mol), and CB1 (-9.18 kcal/mol), surpassing the reference drug celecoxib (-7.22 kcal/mol) in COX-2 binding. MD simulations confirmed complex stability, with RMSD (~3.0 Å) and Rg (~3.0 nm) values lower than unbound proteins. Most compounds met Lipinski's criteria, indicating good oral bioavailability. ADMET analysis revealed favorable absorption and distribution with low toxicity.
conclusionGinsenoside Rb1 and cyanidin 3-O-rutinoside exhibit high binding affinity, stability, and favorable pharmacokinetic properties, supporting their potential as non-opioid analgesic candidates. Their ability to modulate pain pathways in vitro and in vivo warrants further investigation.
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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.