ArticleBioinformation2023
Molecular docking analysis of natural compounds as TNF-α inhibitors for Crohn's disease management.
Article in Bioinformation, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed, 4 citations in OpenAlex.
- Calycosin protects from histopathological and ultrastructural changes in ethanol-induced liver injury and exhibits predicted binding affinity to TNF-α/NF-κB/HIF-1α proteins.Frontiers in pharmacology · 2026Article
- IKK/NF-κB Inactivation by Salidroside via Targeting TNF-α for the Treatment of LPS-Induced Colitis.Current issues in molecular biology · 2025Article
- From AI-AssistedPharmaceuticals (Basel, Switzerland) · 2025Review
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Authors and funding
1 author at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Crohn's disease (CD) is a type of inflammatory bowel disease that is immune-mediated and affects the gastrointestinal tract. The chronic and severe nature of this condition leads to diminished health-related life quality, and frequent hospitalization. While medications such as sulfasalazine, corticosteroids, and immuno-suppressants are used to manage the condition, there are no definite treatments for pain and inflammation associated with CD. TNF-α is a prominent target, and medicines such as infliximab and adalimumab have pharmacological efficacy; however, they also have significant toxicity. Here, the natural compound library (2706 compounds) was screened against TNF-α to find natural TNF-α inhibitors to combat CD. The compounds namely ZINC5223934, ZINC6482465, ZINC4098633, ZINC1702729, and ZINC4649679 had higher binding affinity and interaction with the TNF-α protein than the positive control. Furthermore, these compounds had promising drug-like properties, indicating their potential for future exploration and optimization as TNF-α inhibitors for the treatment of CD.
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Registered trials
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