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- Title
Bacterial network construction and molecular docking approach to study interaction of Myristica fragrans on acne infections.
- Authors
Balekundri, Amruta; Ahire, Eknath D.
- Abstract
Background: Acne vulgaris is a very common bacterial infection caused. Herbal remedies consistently give a positive response in treatment of various disease in disorders. The present study works on predicting the probable interactions between the Myristica fragrans bio-actives with the bacterial targets via network pharmacology and docking techniques. Methods: The bio-actives and disease targets were obtained from open databases and literature review. Protein and pathway enrichment analysis was done by utilizing Metascape (v.3.5.20230501, https://metascape.org/) and STRING (version 11.5, https://string-db.org/) tool. Cytoscape 3.9.1 tool was utilized for construction of network. The compounds were further assessed using Molsoft tools (v.3.7-2) and docking was done using Autodock tools (ADT 1.5.7). Results: The potential bio-actives were selected further the network construction gave insights on the highest degree values. The targets with highest interactions were docked and the complex which showed good binding was selected. Conclusion: It was found that stigmasterol and campesterol have the highest potential and can be considered as hit compounds for further studies too.
- Subjects
NUTMEG tree; MOLECULAR docking; LITERATURE reviews; ACNE; BACTERIAL diseases
- Publication
Community Acquired Infection, 2023, Vol 10, p1
- ISSN
2225-6482
- Publication type
Article
- DOI
10.54844/cai.2023.0326