*Result*: Dihydroalterperylenol from endophytic fungus Alternaria semiverrucosa and its antitumour activity uncovered by transcriptome analysis, molecular docking and molecular dynamics simulations.
Title:
Dihydroalterperylenol from endophytic fungus Alternaria semiverrucosa and its antitumour activity uncovered by transcriptome analysis, molecular docking and molecular dynamics simulations.
Authors:
Yang M; College of Life Sciences, Guizhou University, Guiyang, Guizhou 550025, P.R. China., Lu Y; School of Food and Pharmaceutical Engineering, Guizhou Institute of Technology, Guiyang, Guizhou 550003, P.R. China., Han L; College of Life Sciences, Guizhou University, Guiyang, Guizhou 550025, P.R. China., He Z; Engineering Research Center for Utilization of Characteristic Bio‑Pharmaceutical Resources in Southwest China, Ministry of Education, Guizhou University, Guiyang, Guizhou 550025, P.R. China., Kang J; Engineering Research Center for Utilization of Characteristic Bio‑Pharmaceutical Resources in Southwest China, Ministry of Education, Guizhou University, Guiyang, Guizhou 550025, P.R. China.
Source:
Molecular medicine reports [Mol Med Rep] 2026 Jan; Vol. 33 (1). Date of Electronic Publication: 2025 Nov 07.
Publication Type:
Journal Article
Language:
English
Journal Info:
Publisher: D. A. Spandidos Country of Publication: Greece NLM ID: 101475259 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1791-3004 (Electronic) Linking ISSN: 17912997 NLM ISO Abbreviation: Mol Med Rep Subsets: MEDLINE
Imprint Name(s):
Original Publication: Athens, Greece : D. A. Spandidos
MeSH Terms:
Alternaria*/chemistry , Alternaria*/metabolism , Antineoplastic Agents*/pharmacology , Antineoplastic Agents*/chemistry , Transcriptome*, Cell Proliferation/drug effects ; Gene Expression Regulation, Neoplastic/drug effects ; Signal Transduction/drug effects ; Humans ; Molecular Docking Simulation ; Molecular Dynamics Simulation ; Gene Expression Profiling ; Cell Line, Tumor ; HeLa Cells
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Nature. 2022 Jul;607(7917):163-168. (PMID: 35768509)
BMC Womens Health. 2023 Jan 20;23(1):28. (PMID: 36658539)
Front Cell Neurosci. 2019 Dec 03;13:523. (PMID: 31849612)
Phytochemistry. 2023 Dec;216:113873. (PMID: 37769958)
J Transl Med. 2025 Aug 8;23(1):888. (PMID: 40781691)
Nat Commun. 2015 Apr 29;6:6840. (PMID: 25924227)
J Chem Theory Comput. 2020 Jan 14;16(1):528-552. (PMID: 31714766)
Gene. 2019 Oct 5;715:144017. (PMID: 31357026)
Mol Plant. 2020 Aug 3;13(8):1194-1202. (PMID: 32585190)
J Agric Food Chem. 2018 Aug 1;66(30):8132-8141. (PMID: 29975524)
Methods. 2001 Dec;25(4):402-8. (PMID: 11846609)
Anticancer Agents Med Chem. 2020;20(15):1768-1779. (PMID: 32091347)
J Phys Chem Lett. 2014 Nov 6;5(21):3863-3871. (PMID: 25400877)
Toxicon. 2024 Oct;249:108073. (PMID: 39153686)
J Agric Food Chem. 2017 Sep 27;65(38):8466-8474. (PMID: 28882039)
Phys Rev E. 2021 Aug;104(2-2):025304. (PMID: 34525672)
BMC Cancer. 2010 Aug 26;10:459. (PMID: 20796276)
J Ind Microbiol Biotechnol. 2013 Nov;40(11):1297-302. (PMID: 23958913)
Proc Natl Acad Sci U S A. 2013 Mar 12;110(11):4273-8. (PMID: 23440190)
Cancer Lett. 2020 Feb 28;471:88-102. (PMID: 31812696)
J Nat Prod. 2019 Apr 26;82(4):792-797. (PMID: 30794407)
CA Cancer J Clin. 2024 May-Jun;74(3):229-263. (PMID: 38572751)
Oncogene. 2012 Apr 26;31(17):2164-74. (PMID: 21996751)
Fitoterapia. 2020 Apr;142:104530. (PMID: 32114035)
Cancer Cell Int. 2013 Oct 23;13(1):105. (PMID: 24152585)
Phys Chem Chem Phys. 2024 Mar 27;26(13):10323-10335. (PMID: 38501198)
Cancer Med. 2025 May;14(9):e70803. (PMID: 40318146)
Cancer Cell. 2020 Dec 14;38(6):829-843.e4. (PMID: 33157050)
Ann Transl Med. 2020 Mar;8(5):236. (PMID: 32309383)
J Chem Inf Model. 2023 Oct 23;63(20):6183-6191. (PMID: 37805934)
Phytochemistry. 2001 Apr;56(8):801-6. (PMID: 11324907)
Lancet. 2019 Jan 12;393(10167):169-182. (PMID: 30638582)
J Nat Prod. 2017 Jan 27;80(1):71-75. (PMID: 27992183)
Biosci Rep. 2018 Jun 12;38(3):. (PMID: 29895719)
Int J Food Microbiol. 2015 Mar 2;196:1-10. (PMID: 25498470)
J Nat Prod. 2021 May 28;84(5):1515-1523. (PMID: 33905250)
Science. 2010 Oct 15;330(6002):341-6. (PMID: 20947758)
J Cheminform. 2025 May 19;17(1):76. (PMID: 40389970)
J Phys Chem B. 2014 Jun 19;118(24):6526-30. (PMID: 24655018)
Oncogene. 2002 Dec 5;21(55):8498-505. (PMID: 12466969)
Cell Biosci. 2022 May 31;12(1):76. (PMID: 35641992)
J Comput Chem. 2010 Jan 30;31(2):455-61. (PMID: 19499576)
Mol Med Rep. 2014 Aug;10(2):1051-5. (PMID: 24866720)
Int J Mol Sci. 2022 Sep 18;23(18):. (PMID: 36142828)
Curr Oncol Rep. 2023 Nov;25(11):1307-1326. (PMID: 37870697)
J Chem Theory Comput. 2016 Nov 8;12(11):5596-5608. (PMID: 27760290)
Discov Oncol. 2025 Apr 24;16(1):607. (PMID: 40272602)
J Chem Theory Comput. 2024 Jun 11;20(11):4456-4468. (PMID: 38780181)
Prog Mol Biol Transl Sci. 2020;170:177-213. (PMID: 32145945)
Carcinogenesis. 2002 May;23(5):721-5. (PMID: 12016143)
Expert Opin Investig Drugs. 2017 Apr;26(4):389-402. (PMID: 28274154)
J Am Chem Soc. 1971 May 5;93(9):2325-7. (PMID: 5553076)
Thorac Cancer. 2020 Feb;11(2):264-276. (PMID: 31793741)
Eur J Med Chem. 2018 Aug 5;156:316-343. (PMID: 30015071)
Acta Pharm Sin B. 2024 May;14(5):1951-1964. (PMID: 38799637)
Food Chem Toxicol. 2021 Feb;148:111971. (PMID: 33421460)
Environ Health Perspect. 1973 Jun;4:87-94. (PMID: 4198474)
Nat Prod Rep. 2006 Oct;23(5):753-71. (PMID: 17003908)
Bioorg Chem. 2025 Aug;163:108639. (PMID: 40451014)
Biomedicines. 2025 Aug 27;13(9):. (PMID: 41007646)
J Chem Inf Model. 2020 Aug 24;60(8):3697-3702. (PMID: 32687350)
J Agric Food Chem. 2019 Apr 24;67(16):4700-4708. (PMID: 30929441)
Appl Microbiol Biotechnol. 2013 Jan;97(1):305-15. (PMID: 22660771)
J Chem Inf Model. 2024 Mar 25;64(6):1772-1777. (PMID: 38485521)
J Med Chem. 2019 Jan 24;62(2):993-1013. (PMID: 30525584)
Trends Cell Biol. 2003 Aug;13(8):410-8. (PMID: 12888293)
J Agric Food Chem. 2022 Dec 21;70(50):15763-15775. (PMID: 36472370)
J Nat Prod. 2017 Feb 24;80(2):427-433. (PMID: 28139929)
Medicine (Baltimore). 2017 Jul;96(27):e7406. (PMID: 28682896)
Onco Targets Ther. 2018 Dec 04;11:8729-8740. (PMID: 30584331)
Cell Cycle. 2022 Nov;21(21):2298-2308. (PMID: 35856444)
Aging (Albany NY). 2017 Apr;9(4):1326-1340. (PMID: 28455969)
Eur Rev Med Pharmacol Sci. 2016 Jul;20(13):2812-8. (PMID: 27424980)
Chem Biol. 2012 Jul 27;19(7):792-8. (PMID: 22840767)
Hum Mol Genet. 2003 Mar 15;12(6):679-84. (PMID: 12620973)
J Chem Phys. 2007 Jan 7;126(1):014101. (PMID: 17212484)
Mol Cancer. 2015 Feb 03;14:30. (PMID: 25644253)
Nature. 2024 Jul;631(8022):876-883. (PMID: 38987605)
Chin J Nat Med. 2012 Jan;10(1):68-71. (PMID: 23302535)
Magn Reson Chem. 2005 Nov;43(11):962-5. (PMID: 16155971)
Nature. 2022 Jul;607(7917):163-168. (PMID: 35768509)
BMC Womens Health. 2023 Jan 20;23(1):28. (PMID: 36658539)
Front Cell Neurosci. 2019 Dec 03;13:523. (PMID: 31849612)
Phytochemistry. 2023 Dec;216:113873. (PMID: 37769958)
J Transl Med. 2025 Aug 8;23(1):888. (PMID: 40781691)
Contributed Indexing:
Keywords: Alternaria semiverrucosa; cervical cancer cells; dihydroalterperylenol; inhibition of proliferation; molecular docking; molecular dynamics simulations; transcriptome analysis
Substance Nomenclature:
0 (Antineoplastic Agents)
Entry Date(s):
Date Created: 20251107 Date Completed: 20251107 Latest Revision: 20251115
Update Code:
20260130
PubMed Central ID:
PMC12612657
DOI:
10.3892/mmr.2025.13740
PMID:
41201023
Database:
MEDLINE
*Further Information*
*Medicinal plants host a variety of endophytic fungi, which produce numerous secondary metabolites with diverse biological activities. The present study identified ten natural compounds isolated from the endophytic fungal strain Alternaria semiverrucosa, derived from Taxus wallichiana var. mairei. The cytotoxicity of all isolated compounds was evaluated against six tumor cell lines. Dihydroalterperylenol (compound 1) exhibited the highest cytotoxicity against HeLa cells (IC50=6.43±3.0 µM). Cells were treated with 0.1% DMSO and 6.0 µmol/l for 24 h, after which total RNA was extracted for transcriptome library construction and sequencing analysis. Transcriptome analysis identified 140 differentially expressed genes (DEGs), including 99 upregulated and 41 downregulated genes. Kyoto Encyclopedia of Genes and Genomes pathway analysis revealed significant enrichment of these DEGs in the TGFβ signaling pathway and Hippo signaling pathway. Gene ontology analysis indicated that the DEGs were predominantly involved in the regulation of cell proliferation. Notably, reverse transcription‑quantitative PCR validation confirmed the upregulation of three genes (TGIF2, ID1 and BMP2) which was consistent with the transcriptome sequencing results. Additionally, molecular docking and molecular dynamics simulations were employed to explore the molecular mechanisms underlying the antitumor activity of compound 1. The results suggest that compound 1 exerts its anticancer effects in cervical cancer by regulating the expression of genes TGIF2, ID1 and BMP2.*