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Modeling Kaempferol as a Potential Pharmacological Agent for COVID-19/PF Co-Occurrence Based on Bioinformatics and System Pharmacological Tools.

التفاصيل البيبلوغرافية
العنوان: Modeling Kaempferol as a Potential Pharmacological Agent for COVID-19/PF Co-Occurrence Based on Bioinformatics and System Pharmacological Tools.
المؤلفون: Jiang Y; Shenzhen Hospital of Integrated Traditional Chinese and Western Medicine, Shenzhen, China., Xie YZ; The First Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou, China.; The First Clinical Medical School, Guangzhou University of Chinese Medicine, Guangzhou, China., Peng CW; The First Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou, China.; The First Clinical Medical School, Guangzhou University of Chinese Medicine, Guangzhou, China., Yao KN; Shenzhen Bao'an District Traditional Chinese Medicine Hospital, Guangzhou University of Chinese Medicine, Shenzhen, China., Lin XY; The First Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou, China.; The First Clinical Medical School, Guangzhou University of Chinese Medicine, Guangzhou, China., Zhan SF; The First Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou, China., Zhuang HF; The First Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou, China., Huang HT; The First Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou, China., Liu XH; The First Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou, China., Huang XF; The First Affiliated Hospital of Guangzhou University of Chinese Medicine, Guangzhou, China.; Lingnan Medical Research Center of Guangzhou University of Chinese Medicine, Guangzhou, China., Li H; Shenzhen Bao'an District Traditional Chinese Medicine Hospital, Guangzhou University of Chinese Medicine, Shenzhen, China.
المصدر: Frontiers in pharmacology [Front Pharmacol] 2022 Jun 08; Vol. 13, pp. 865097. Date of Electronic Publication: 2022 Jun 08 (Print Publication: 2022).
نوع المنشور: Journal Article
اللغة: English
بيانات الدورية: Publisher: Frontiers Media] Country of Publication: Switzerland NLM ID: 101548923 Publication Model: eCollection Cited Medium: Print ISSN: 1663-9812 (Print) Linking ISSN: 16639812 NLM ISO Abbreviation: Front Pharmacol Subsets: PubMed not MEDLINE
أسماء مطبوعة: Original Publication: [Lausanne : Frontiers Media]
مستخلص: Objective: People suffering from coronavirus disease 2019 (COVID-19) are prone to develop pulmonary fibrosis (PF), but there is currently no definitive treatment for COVID-19/PF co-occurrence. Kaempferol with promising antiviral and anti-fibrotic effects is expected to become a potential treatment for COVID-19 and PF comorbidities. Therefore, this study explored the targets and molecular mechanisms of kaempferol against COVID-19/PF co-occurrence by bioinformatics and network pharmacology. Methods: Various open-source databases and Venn Diagram tool were applied to confirm the targets of kaempferol against COVID-19/PF co-occurrence. Protein-protein interaction (PPI), MCODE, key transcription factors, tissue-specific enrichment, molecular docking, Gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses were used to clarify the influential molecular mechanisms of kaempferol against COVID-19 and PF comorbidities. Results: 290 targets and 203 transcription factors of kaempferol against COVID-19/PF co-occurrence were captured. Epidermal growth factor receptor (EGFR), proto-oncogene tyrosine-protein kinase SRC (SRC), mitogen-activated protein kinase 3 (MAPK3), mitogen-activated protein kinase 1 (MAPK1), mitogen-activated protein kinase 8 (MAPK8), RAC-alpha serine/threonine-protein kinase (AKT1), transcription factor p65 (RELA) and phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (PIK3CA) were identified as the most critical targets, and kaempferol showed effective binding activities with the above critical eight targets. Further, anti-COVID-19/PF co-occurrence effects of kaempferol were associated with the regulation of inflammation, oxidative stress, immunity, virus infection, cell growth process and metabolism. EGFR, interleukin 17 (IL-17), tumor necrosis factor (TNF), hypoxia inducible factor 1 (HIF-1), phosphoinositide 3-kinase/AKT serine/threonine kinase (PI3K/AKT) and Toll-like receptor signaling pathways were identified as the key anti-COVID-19/PF co-occurrence pathways. Conclusion: Kaempferol is a candidate treatment for COVID-19/PF co-occurrence. The underlying mechanisms may be related to the regulation of critical targets (EGFR, SRC, MAPK3, MAPK1, MAPK8, AKT1, RELA, PIK3CA and so on) and EGFR, IL-17, TNF, HIF-1, PI3K/AKT and Toll-like receptor signaling pathways. This study contributes to guiding development of new drugs for COVID-19 and PF comorbidities.
Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest.
(Copyright © 2022 Jiang, Xie, Peng, Yao, Lin, Zhan, Zhuang, Huang, Liu, Huang and Li.)
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فهرسة مساهمة: Keywords: COVID-19; bioinformatic analysis; co-occurrence; kaempferol; pulmonary fibrosis; system pharmacology
تواريخ الأحداث: Date Created: 20220627 Latest Revision: 20220716
رمز التحديث: 20221213
مُعرف محوري في PubMed: PMC9214245
DOI: 10.3389/fphar.2022.865097
PMID: 35754492
قاعدة البيانات: MEDLINE
الوصف
تدمد:1663-9812
DOI:10.3389/fphar.2022.865097