*Result*: Unraveling the mechanism of curcumin in coronary slow flow phenomenon through network pharmacology and molecular docking.
Title:
Unraveling the mechanism of curcumin in coronary slow flow phenomenon through network pharmacology and molecular docking.
Authors:
Xue C; Nanjing University of Chinese Medicine, Nanjing, 210023, Jiangsu, China., Kang J; Liaoning University of Traditional Chinese Medicine, No. 79 Chongshan East Road, Huanggu District, Shenyang, 110847, Liaoning, China., Zhu Q; Nantong Hospital of Traditional Chinese Medicine, Nantong Hospital Affiliated to Nanjing University of Chinese Medicine, No. 41 Jianshe Road, Chongchuan District, Nantong, 226000, Jiangsu, China., Gao X; Nantong Hospital of Traditional Chinese Medicine, Nantong Hospital Affiliated to Nanjing University of Chinese Medicine, No. 41 Jianshe Road, Chongchuan District, Nantong, 226000, Jiangsu, China. ntgx1964@163.com., Wu X; Liaoning University of Traditional Chinese Medicine, No. 79 Chongshan East Road, Huanggu District, Shenyang, 110847, Liaoning, China. 953935269@qq.com.; Nantong Hospital of Traditional Chinese Medicine, Nantong Hospital Affiliated to Nanjing University of Chinese Medicine, No. 41 Jianshe Road, Chongchuan District, Nantong, 226000, Jiangsu, China. 953935269@qq.com., Yu Y; Nantong Hospital of Traditional Chinese Medicine, Nantong Hospital Affiliated to Nanjing University of Chinese Medicine, No. 41 Jianshe Road, Chongchuan District, Nantong, 226000, Jiangsu, China. 123178853@qq.com.
Source:
Scientific reports [Sci Rep] 2025 Dec 24; Vol. 15 (1), pp. 44551. Date of Electronic Publication: 2025 Dec 24.
Publication Type:
Journal Article
Language:
English
Journal Info:
Publisher: Nature Publishing Group Country of Publication: England NLM ID: 101563288 Publication Model: Electronic Cited Medium: Internet ISSN: 2045-2322 (Electronic) Linking ISSN: 20452322 NLM ISO Abbreviation: Sci Rep Subsets: MEDLINE
Imprint Name(s):
Original Publication: London : Nature Publishing Group, copyright 2011-
MeSH Terms:
References:
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Cardiology. 2002;97(4):197-202. (PMID: 12145474)
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Int J Biol Macromol. 2022 May 31;208:11-19. (PMID: 35276295)
Biosci Rep. 2020 Nov 27;40(11):. (PMID: 32936287)
Nutr Rev. 2025 Aug 1;83(8):1520-1536. (PMID: 40044446)
Struct Dyn. 2025 Apr 18;12(2):021101. (PMID: 40255535)
Cell Physiol Biochem. 2015;36(4):1371-81. (PMID: 26159489)
Drug Des Devel Ther. 2024 Jan 30;18:165-192. (PMID: 38312990)
Nucleic Acids Res. 2023 Jul 5;51(W1):W148-W153. (PMID: 37094027)
Int Heart J. 2005 May;46(3):373-82. (PMID: 16043934)
Physiol Genomics. 2017 Nov 1;49(11):667-681. (PMID: 28939645)
PLoS One. 2011;6(8):e23756. (PMID: 21858220)
Biomolecules. 2022 Nov 27;12(12):. (PMID: 36551192)
Sci Rep. 2024 Jul 28;14(1):17344. (PMID: 39069521)
BMC Nutr. 2024 May 13;10(1):73. (PMID: 38741194)
Circ J. 2012;76(4):936-42. (PMID: 22293446)
Braz J Cardiovasc Surg. 2022 Aug 16;37(4):525-533. (PMID: 34236821)
J Cell Physiol. 2018 Jul;233(7):5222-5230. (PMID: 29194612)
PLoS One. 2023 Nov 9;18(11):e0294236. (PMID: 37943830)
Vascul Pharmacol. 2021 Jun;138:106841. (PMID: 33545365)
Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. (PMID: 37713619)
J Vasc Surg. 2013 Jul;58(1):219-30. (PMID: 23643279)
Rev Med Chir Soc Med Nat Iasi. 2012 Oct-Dec;116(4):1223-9. (PMID: 23700916)
Tumour Biol. 2016 Oct;37(10):13177-13184. (PMID: 27456358)
Chem Biol. 2006 Nov;13(11):1235-42. (PMID: 17114005)
Nucleic Acids Res. 2018 Jan 4;46(D1):D380-D386. (PMID: 29087512)
Diagn Pathol. 2024 Feb 16;19(1):35. (PMID: 38365810)
Cardiology. 2008;110(1):39-44. (PMID: 17934268)
Pharmacol Res. 2013 Dec;78:1-9. (PMID: 24083950)
Acta Cardiol. 2008 Oct;63(5):579-84. (PMID: 19014000)
J Ethnopharmacol. 2023 May 23;308:116289. (PMID: 36822344)
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Cardiovasc J Afr. 2013 Oct-Nov;24(9-10):355-9. (PMID: 24337211)
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JAKSTAT. 2012 Apr 1;1(2):111-7. (PMID: 24058759)
Cardiovasc Toxicol. 2024 May;24(5):519-526. (PMID: 38622332)
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Chin J Nat Med. 2021 Jan;19(1):1-11. (PMID: 33516447)
Nucleic Acids Res. 2013 Jul;41(Web Server issue):W165-8. (PMID: 23716633)
Cells. 2023 Feb 14;12(4):. (PMID: 36831279)
J Nutr Metab. 2016;2016:1089653. (PMID: 27630772)
Pharmacol Rep. 2009 Jan-Feb;61(1):22-32. (PMID: 19307690)
Nucleic Acids Res. 2019 Jan 8;47(D1):D1038-D1043. (PMID: 30445645)
Anatol J Cardiol. 2015 Jul;15(7):531-5. (PMID: 25537993)
J Inflamm Res. 2021 Jun 09;14:2445-2463. (PMID: 34135616)
Clin Cardiol. 2007 Sep;30(9):475-9. (PMID: 17803205)
J Comput Aided Mol Des. 2016 May;30(5):413-24. (PMID: 27167132)
J Lipid Atheroscler. 2020 Jan;9(1):184-194. (PMID: 32821730)
Kardiol Pol. 2016;74(10):1174-1179. (PMID: 27160173)
Clin Chim Acta. 2023 Aug 1;548:117487. (PMID: 37442359)
Int Heart J. 2009 Sep;50(5):545-53. (PMID: 19809204)
Biomed Res Int. 2024 Oct 15;2024:9347381. (PMID: 39445208)
PLoS One. 2012;7(6):e38851. (PMID: 22761709)
Elife. 2015 Aug 12;4:. (PMID: 26267216)
Med Princ Pract. 2014;23(4):346-50. (PMID: 24942509)
Cardiol J. 2009;16(5):462-8. (PMID: 19753527)
Dis Markers. 2018 Jun 25;2018:6345284. (PMID: 30046360)
Hereditas. 2025 May 16;162(1):81. (PMID: 40380246)
J Cardiovasc Pharmacol Ther. 2015 Jul;20(4):401-6. (PMID: 25701829)
Diabetes. 2008 Apr;57(4):879-88. (PMID: 18003754)
Curr Vasc Pharmacol. 2017;15(1):40-46. (PMID: 27633456)
Int J Biol Sci. 2019 Apr 21;15(5):1042-1051. (PMID: 31182924)
J Clin Lab Anal. 2018 Feb;32(2):. (PMID: 28407320)
Nucleic Acids Res. 2017 Jul 3;45(W1):W356-W360. (PMID: 28472422)
Commun Chem. 2024 May 9;7(1):105. (PMID: 38724725)
Cardiovasc Diagn Ther. 2011 Dec;1(1):37-43. (PMID: 24282683)
Microvasc Res. 2016 Jul;106:117-27. (PMID: 26686249)
Nucleic Acids Res. 2022 Jul 5;50(W1):W216-W221. (PMID: 35325185)
BMC Syst Biol. 2014;8 Suppl 4:S11. (PMID: 25521941)
Metabolomics. 2025 Feb 07;21(1):23. (PMID: 39920375)
Sci Rep. 2017 Apr 04;8:45917. (PMID: 28374780)
Nat Biotechnol. 2007 Feb;25(2):197-206. (PMID: 17287757)
Curr Protoc Bioinformatics. 2016 Jun 20;54:1.30.1-1.30.33. (PMID: 27322403)
Nucleic Acids Res. 2025 Jan 6;53(D1):D1516-D1525. (PMID: 39558165)
Cardiol Res Pract. 2020 Jul 26;2020:7490942. (PMID: 32774915)
Cytokine. 2021 Jul;143:155511. (PMID: 33839001)
Am Heart J. 1972 Jul;84(1):66-71. (PMID: 5080284)
Hum Exp Toxicol. 2022 Jan-Dec;41:9603271211069043. (PMID: 35549587)
Front Pharmacol. 2025 Mar 18;16:1524736. (PMID: 40170728)
Cancer Res. 2010 Mar 15;70(6):2445-54. (PMID: 20215512)
Zhonghua Yi Xue Za Zhi. 2019 May 7;99(17):1323-1327. (PMID: 31091580)
Clin Chim Acta. 2007 Oct;385(1-2):43-7. (PMID: 17706955)
Coron Artery Dis. 2016 Aug;27(5):398-404. (PMID: 27140844)
Cell. 2010 Mar 19;140(6):805-20. (PMID: 20303872)
Nucleic Acids Res. 2025 Jan 6;53(D1):D948-D957. (PMID: 39656687)
Bioinformatics. 2013 Apr 1;29(7):845-54. (PMID: 23407358)
BMC Cardiovasc Disord. 2022 Jul 13;22(1):313. (PMID: 35831800)
J Agric Food Chem. 2018 Jan 17;66(2):449-456. (PMID: 29224353)
Nucleic Acids Res. 2025 Jan 6;53(D1):D672-D677. (PMID: 39417505)
Curr Opin Cell Biol. 2001 Apr;13(2):167-71. (PMID: 11248550)
Nucleic Acids Res. 2024 Jan 5;52(D1):D304-D310. (PMID: 37986224)
Nat Rev Endocrinol. 2018 Dec;15(1):21-32. (PMID: 30275460)
Bioorg Chem. 2025 Apr;157:108264. (PMID: 39954354)
Biomed Res Int. 2015;2015:354517. (PMID: 26221589)
Jpn Heart J. 2003 Nov;44(6):907-19. (PMID: 14711186)
ARYA Atheroscler. 2017 Jul;13(4):196-201. (PMID: 29147131)
Nucleic Acids Res. 2018 Jul 2;46(W1):W60-W64. (PMID: 29912392)
Am J Physiol. 1996 Oct;271(4 Pt 1):C1172-80. (PMID: 8897823)
Lancet. 1999 Apr 24;353(9162):1440. (PMID: 10227244)
Arterioscler Thromb Vasc Biol. 2018 Jan;38(1):114-119. (PMID: 29191921)
Circulation. 2012 Jul 24;126(4):418-29. (PMID: 22705886)
Aging (Albany NY). 2017 Jan 3;9(1):187-208. (PMID: 28070018)
Echocardiography. 2019 Dec;36(12):2234-2240. (PMID: 31755583)
Nucleic Acids Res. 2025 Jul 7;53(W1):W203-W212. (PMID: 40308211)
Int J Cardiol. 2006 Apr 4;108(2):224-30. (PMID: 16002164)
Mol Biol Rep. 2025 Sep 22;52(1):940. (PMID: 40982128)
Int J Biol Sci. 2025 Jul 4;21(10):4410-4427. (PMID: 40765826)
Cytokine. 2021 Jul;143:155541. (PMID: 33934954)
Carbohydr Polym. 2023 Nov 1;319:121162. (PMID: 37567706)
J Clin Med. 2024 Feb 27;13(5):. (PMID: 38592159)
Sci Rep. 2024 Apr 10;14(1):8419. (PMID: 38600259)
Circulation. 2014 Apr 29;129(17):1761-9. (PMID: 24519928)
Circ J. 2003 Dec;67(12):1022-8. (PMID: 14639018)
J Immunol Methods. 2003 Jun 1;277(1-2):101-15. (PMID: 12799043)
Heart Vessels. 2011 Jul;26(4):357-62. (PMID: 21140270)
Nucleic Acids Res. 2023 Jan 6;51(D1):D638-D646. (PMID: 36370105)
Toxicol Lett. 2015 May 5;234(3):151-61. (PMID: 25725129)
Inflamm Res. 2011 Dec;60(12):1161-8. (PMID: 21922289)
J Comput Chem. 2010 Jan 30;31(2):455-61. (PMID: 19499576)
Trials. 2024 Jul 31;25(1):515. (PMID: 39085864)
Cardiology. 2002;97(4):197-202. (PMID: 12145474)
J Food Biochem. 2022 Dec;46(12):e14407. (PMID: 36219718)
PeerJ. 2023 Dec 7;11:e16593. (PMID: 38084140)
Int J Biol Macromol. 2022 May 31;208:11-19. (PMID: 35276295)
Biosci Rep. 2020 Nov 27;40(11):. (PMID: 32936287)
Nutr Rev. 2025 Aug 1;83(8):1520-1536. (PMID: 40044446)
Struct Dyn. 2025 Apr 18;12(2):021101. (PMID: 40255535)
Cell Physiol Biochem. 2015;36(4):1371-81. (PMID: 26159489)
Drug Des Devel Ther. 2024 Jan 30;18:165-192. (PMID: 38312990)
Nucleic Acids Res. 2023 Jul 5;51(W1):W148-W153. (PMID: 37094027)
Int Heart J. 2005 May;46(3):373-82. (PMID: 16043934)
Physiol Genomics. 2017 Nov 1;49(11):667-681. (PMID: 28939645)
PLoS One. 2011;6(8):e23756. (PMID: 21858220)
Biomolecules. 2022 Nov 27;12(12):. (PMID: 36551192)
Sci Rep. 2024 Jul 28;14(1):17344. (PMID: 39069521)
BMC Nutr. 2024 May 13;10(1):73. (PMID: 38741194)
Circ J. 2012;76(4):936-42. (PMID: 22293446)
Braz J Cardiovasc Surg. 2022 Aug 16;37(4):525-533. (PMID: 34236821)
J Cell Physiol. 2018 Jul;233(7):5222-5230. (PMID: 29194612)
PLoS One. 2023 Nov 9;18(11):e0294236. (PMID: 37943830)
Vascul Pharmacol. 2021 Jun;138:106841. (PMID: 33545365)
Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. (PMID: 37713619)
J Vasc Surg. 2013 Jul;58(1):219-30. (PMID: 23643279)
Rev Med Chir Soc Med Nat Iasi. 2012 Oct-Dec;116(4):1223-9. (PMID: 23700916)
Tumour Biol. 2016 Oct;37(10):13177-13184. (PMID: 27456358)
Chem Biol. 2006 Nov;13(11):1235-42. (PMID: 17114005)
Nucleic Acids Res. 2018 Jan 4;46(D1):D380-D386. (PMID: 29087512)
Diagn Pathol. 2024 Feb 16;19(1):35. (PMID: 38365810)
Cardiology. 2008;110(1):39-44. (PMID: 17934268)
Pharmacol Res. 2013 Dec;78:1-9. (PMID: 24083950)
Acta Cardiol. 2008 Oct;63(5):579-84. (PMID: 19014000)
J Ethnopharmacol. 2023 May 23;308:116289. (PMID: 36822344)
Oncol Lett. 2017 Aug;14(2):1811-1816. (PMID: 28789415)
Cardiovasc J Afr. 2013 Oct-Nov;24(9-10):355-9. (PMID: 24337211)
Front Physiol. 2022 Jun 14;13:913399. (PMID: 35774283)
Pharmacol Res. 2025 Mar;213:107641. (PMID: 39894187)
Nan Fang Yi Ke Da Xue Xue Bao. 2025 May 20;45(5):1039-1046. (PMID: 40415436)
Molecules. 2021 Nov 04;26(21):. (PMID: 34771085)
Genetics. 2023 May 4;224(1):. (PMID: 36866529)
Biomed Pharmacother. 2021 Sep;141:111888. (PMID: 34237598)
Cell Death Differ. 2017 Jul;24(7):1153-1159. (PMID: 28475177)
Exp Ther Med. 2018 Jan;15(1):904-908. (PMID: 29399097)
J Cell Biochem. 2016 Nov;117(11):2608-19. (PMID: 27019209)
BMC Bioinformatics. 2003 Jan 13;4:2. (PMID: 12525261)
Cardiol Res Pract. 2019 May 7;2019:9168153. (PMID: 31205785)
JAKSTAT. 2012 Apr 1;1(2):111-7. (PMID: 24058759)
Cardiovasc Toxicol. 2024 May;24(5):519-526. (PMID: 38622332)
Ageing Res Rev. 2026 Jan;113:102920. (PMID: 41109514)
Chin J Nat Med. 2021 Jan;19(1):1-11. (PMID: 33516447)
Nucleic Acids Res. 2013 Jul;41(Web Server issue):W165-8. (PMID: 23716633)
Cells. 2023 Feb 14;12(4):. (PMID: 36831279)
J Nutr Metab. 2016;2016:1089653. (PMID: 27630772)
Pharmacol Rep. 2009 Jan-Feb;61(1):22-32. (PMID: 19307690)
Nucleic Acids Res. 2019 Jan 8;47(D1):D1038-D1043. (PMID: 30445645)
Anatol J Cardiol. 2015 Jul;15(7):531-5. (PMID: 25537993)
J Inflamm Res. 2021 Jun 09;14:2445-2463. (PMID: 34135616)
Clin Cardiol. 2007 Sep;30(9):475-9. (PMID: 17803205)
J Comput Aided Mol Des. 2016 May;30(5):413-24. (PMID: 27167132)
J Lipid Atheroscler. 2020 Jan;9(1):184-194. (PMID: 32821730)
Kardiol Pol. 2016;74(10):1174-1179. (PMID: 27160173)
Clin Chim Acta. 2023 Aug 1;548:117487. (PMID: 37442359)
Int Heart J. 2009 Sep;50(5):545-53. (PMID: 19809204)
Biomed Res Int. 2024 Oct 15;2024:9347381. (PMID: 39445208)
PLoS One. 2012;7(6):e38851. (PMID: 22761709)
Elife. 2015 Aug 12;4:. (PMID: 26267216)
Med Princ Pract. 2014;23(4):346-50. (PMID: 24942509)
Cardiol J. 2009;16(5):462-8. (PMID: 19753527)
Dis Markers. 2018 Jun 25;2018:6345284. (PMID: 30046360)
Grant Information:
SJCX24_1035 Jiangsu Province Postgraduate Research and Practice Innovation Program
Contributed Indexing:
Keywords: Coronary slow flow phenomenon; Curcumin; In-silico; Molecular docking; Molecular dynamics simulation; Network pharmacology
Substance Nomenclature:
IT942ZTH98 (Curcumin)
Entry Date(s):
Date Created: 20251224 Date Completed: 20251224 Latest Revision: 20251227
Update Code:
20260130
PubMed Central ID:
PMC12739133
DOI:
10.1038/s41598-025-28358-y
PMID:
41444316
Database:
MEDLINE
*Further Information*
*The coronary slow flow phenomenon (CSFP) is associated with an increased risk of adverse cardiovascular events, yet standardized treatment is lacking. Curcumin, a natural compound, has shown potential in alleviating angina and improving metabolic risk factors in CSFP, but its underlying molecular mechanisms remain unclear. This study employed an integrated computational strategy. Network pharmacology was used to identify potential targets of curcumin and CSFP from public databases, and common targets were identified. Functional enrichment analysis was performed on the common targets, and a protein-protein interaction network was constructed. Core targets were identified using MCODE and CytoHubba plugins in Cytoscape. Molecular docking evaluated the binding modes and affinities of curcumin with the core targets, while molecular dynamics simulations and Molecular Mechanics/Generalized Born Surface Area (MM/GBSA) calculations validated the stability and binding free energies of the complexes. A total of 120 predicted targets of curcumin and 435 CSFP-related targets were identified, yielding 19 common targets. Functional enrichment analysis revealed that curcumin may treat CSFP by modulating inflammatory response, vascular function, cell migration, proliferation, apoptosis, and oxidative stress. These targets were associated with key signaling pathways, including NF-κB, TNF, and HIF-1. Network analysis and topological algorithms identified five core targets: EGFR, ICAM1, NFKB1, PTGS2, and STAT3. Molecular docking results demonstrated that curcumin exhibited excellent binding affinity with all core targets. Molecular dynamics simulations confirmed that the curcumin-core target complexes remained structurally stable during the 100 ns simulation, and MM/GBSA calculations indicated significantly negative binding free energies, suggesting strong binding driving forces. Curcumin may exert therapeutic effects on CSFP through a multi-target mechanism, primarily by interacting with key proteins including EGFR, ICAM1, NFKB1, PTGS2, and STAT3, thereby regulating the NF-κB, TNF, and HIF-1 signaling pathways. This study provides a theoretical foundation for the application of curcumin in CSFP treatment, though further experimental validation is required.
(© 2025. The Author(s).)*
*Declarations. Competing interests: The authors declare no competing interests.*