Mechanisms Underlying the Therapeutic Effects of Nicotinamide Mononucleotide in Treating High-fat Diet-induced Hypertrophic Cardiomyopathy based on GEO Datasets, Network Pharmacology, and Molecular Docking
- Authors: Han Y.1, Wang L.2, Zhang Y.3, Zhou A.3, Wang Z.3, Dong W.1, Wang J.3, Wang T.1, Zou J.4
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Affiliations:
- Hubei Province Key Laboratory of Occupational Hazard Identification and Control, Academy of Nutrition and Health, Institute of Advanced Pharmaceutical Technology, College of Medicine, Wuhan University of Science and Technology
- Institute of Hubei Province Key Laboratory of Occupational Hazard Identification and Control, Academy of Nutrition and Health, Institute of Advanced Pharmaceutical Technology, College of Medicine, Pharmaceutical Technology, Academy of Nutrition and Health, Wuhan University of Science and Technology
- Hubei Province Key Laboratory of Occupational Hazard Identification and Control, Academy of Nutrition and Health, Institute of Advanced Pharmaceutical Technology, College of Medicine,, Wuhan University of Science and Technology
- Department of Pharmacy, Hainan Women and Children's Medical Center
- Issue: Vol 30, No 38 (2024)
- Pages: 3054-3070
- Section: Immunology, Inflammation & Allergy
- URL: https://vestnikugrasu.org/1381-6128/article/view/645965
- DOI: https://doi.org/10.2174/0113816128311226240730080713
- ID: 645965
Cite item
Full Text
Abstract
Background:The beneficial effects of nicotinamide mononucleotide (NMN) on heart disease have been reported, but the effects of NMN on high-fat diet-induced hypertrophic cardiomyopathy (HCM) and its mechanisms of action are unclear. In this study, we systematically explored the effects and mechanism of action of NMN in HCM using network pharmacology and molecular docking.
Methods:Active targets of NMN were obtained from SWISS, CNKI, PubMed, DrugBank, BingingDB, and ZINC databases. HCM-related targets were retrieved from GEO datasets combined with GeneCards, OMIM, PharmGKB, and DisGeNET databases. A Protein-Protein Interaction (PPI) network was built to screen the core targets. DAVID was used for GO and KEGG pathway enrichment analyses. The tissue and organ distribution of targets was evaluated. Interactions between potential targets and active compounds were assessed by molecular docking. A molecular dynamics simulation was conducted for the optimal core protein-compound complexes obtained by molecular docking.
Results:In total, 265 active targets of NMN and 3918 potential targets of HCM were identified. A topological analysis of the PPI network revealed 10 core targets. GO and KEGG pathway enrichment analyses indicated that the effects of NMN were mediated by genes related to inflammation, apoptosis, and oxidative stress, as well as the FOXO and PI3K-Akt signaling pathways. Molecular docking and molecular dynamics simulations revealed good binding ability between the active compounds and screened targets.
Conclusion:The possible targets and pathways of NMN in the treatment of HCM have been successfully predicted by this investigation. It provides a novel approach for further investigation into the molecular processes of NMN in HCM treatment.
About the authors
Yuan-chun Han
Hubei Province Key Laboratory of Occupational Hazard Identification and Control, Academy of Nutrition and Health, Institute of Advanced Pharmaceutical Technology, College of Medicine, Wuhan University of Science and Technology
Email: info@benthamscience.net
Li Wang
Institute of Hubei Province Key Laboratory of Occupational Hazard Identification and Control, Academy of Nutrition and Health, Institute of Advanced Pharmaceutical Technology, College of Medicine, Pharmaceutical Technology, Academy of Nutrition and Health, Wuhan University of Science and Technology
Email: info@benthamscience.net
Yi-dan Zhang
Hubei Province Key Laboratory of Occupational Hazard Identification and Control, Academy of Nutrition and Health, Institute of Advanced Pharmaceutical Technology, College of Medicine,, Wuhan University of Science and Technology
Email: info@benthamscience.net
Ao-jia Zhou
Hubei Province Key Laboratory of Occupational Hazard Identification and Control, Academy of Nutrition and Health, Institute of Advanced Pharmaceutical Technology, College of Medicine,, Wuhan University of Science and Technology
Email: info@benthamscience.net
Zi-ping Wang
Hubei Province Key Laboratory of Occupational Hazard Identification and Control, Academy of Nutrition and Health, Institute of Advanced Pharmaceutical Technology, College of Medicine,, Wuhan University of Science and Technology
Email: info@benthamscience.net
Wen-huan Dong
Hubei Province Key Laboratory of Occupational Hazard Identification and Control, Academy of Nutrition and Health, Institute of Advanced Pharmaceutical Technology, College of Medicine, Wuhan University of Science and Technology
Email: info@benthamscience.net
Jian-peng Wang
Hubei Province Key Laboratory of Occupational Hazard Identification and Control, Academy of Nutrition and Health, Institute of Advanced Pharmaceutical Technology, College of Medicine,, Wuhan University of Science and Technology
Email: info@benthamscience.net
Ting Wang
Hubei Province Key Laboratory of Occupational Hazard Identification and Control, Academy of Nutrition and Health, Institute of Advanced Pharmaceutical Technology, College of Medicine, Wuhan University of Science and Technology
Author for correspondence.
Email: info@benthamscience.net
Jun Zou
Department of Pharmacy, Hainan Women and Children's Medical Center
Author for correspondence.
Email: info@benthamscience.net
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