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Article Open Access

Dihydroalterperylenol from endophytic fungus Alternaria semiverrucosa and its antitumour activity uncovered by transcriptome analysis, molecular docking and molecular dynamics simulations

  • Authors:
    • Mingfei Yang
    • Yongzhong Lu
    • Long Han
    • Zhangjiang He
    • Jichuan Kang
  • View Affiliations / Copyright

    Affiliations: College of Life Sciences, Guizhou University, Guiyang, Guizhou 550025, P.R. China, School of Food and Pharmaceutical Engineering, Guizhou Institute of Technology, Guiyang, Guizhou 550003, P.R. China, Engineering Research Center for Utilization of Characteristic Bio‑Pharmaceutical Resources in Southwest China, Ministry of Education, Guizhou University, Guiyang, Guizhou 550025, P.R. China
    Copyright: © Yang et al. This is an open access article distributed under the terms of Creative Commons Attribution License.
  • Article Number: 30
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    Published online on: November 3, 2025
       https://doi.org/10.3892/mmr.2025.13740
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Abstract

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.
View Figures

Figure 1

Effect of compound 1 on HeLa cells.
(A) Chemical structure of compound 1; (B) IC50 values of
compound 1 on HeLa cell proliferation at 24, 48 and 72 h; (C)
Comparison of the IC50 values of compound 1 and
doxorubicin on HeLa cell proliferation; (D) Comparison of the
compound 1 IC50 value between HGF-1 and HeLa cells; (E)
Morphological changes of HeLa cells. HGF-1, human gingival
fibroblasts. *P<0.05 vs. the doxorubicin group (n=3),
**P<0.01 vs. the HGF-1 group (n=3).

Figure 2

Apoptosis and cell cycle arrest
efects of HeLa cells induced by compound 1. (A) Apoptosis was
assessed by annexin V-FITC/PI staining after treatment with
compound 1 for 24 h, followed by flow cytometric analysis; (B)
Statistical analysis of early and late apoptosis rates in HeLa
cells; (C) Cell cycle distribution was evaluated by PI staining
after treatment with compound 1 for 24 h and analyzed by flow
cytometry; (D) Percentage of HeLa cells in each phase of the cell
cycle. *P<0.05, **P<0.01 vs. the control group (n=3).

Figure 3

mRNA transcriptomic analysis in HeLa
cells treated with Dihydroalterperylenol. (A) Volcano map; (B) MA
plot of differentially expressed genes; (C) Kyoto Encyclopedia of
Genes and Genomes pathway enrichment; (D) cellular component; (E)
biological process and (F) molecular function. MA,
Minus-versus-Add.

Figure 4

Thermogram of differential gene
expression in Hela cells treated with compound 1 and reverse
transcription-quantitative PCR analysis at different concentrations
(3.0, 6.0 and 9.0 µM). (A) Differential expression heatmap of BMP2,
TGIF-2 and ID1 genes; (B) Relative mRNA expression levels of BMP2,
TGIF-2 and ID1 genes. *P<0.05; **P<0.01; ***P<0.001 vs.
control (DMSO; n=3).

Figure 5

Docking interaction between compound
1 and (A) TGIF2, (B) ID1 and (C) BMP2.

Figure 6

Results of molecular dynamics
simulation. (A) RMSD variation curve; (B) fluctuation of amino acid
residues; (C) Rg curve; (D) SASA fluctuation curve; (E) Number of H
bonds. RMSD, root mean square deviation; RMSF, root mean square
fluctuation; Rg, gyration; SASA, solvent-accessible surface area;
H-bonds, hydrogen bonds.

Figure 7

Molecular dynamics simulation energy
analysis. (A) Energy contribution of each amino acid residue in the
protein-ligand complex (BMP2-1rew); (B) Total binding energy of the
protein-ligand complex (BMP2-1rew); (C) Energy contribution of each
amino acid residue in the protein-ligand complex (ID1-6mgn); (D)
Total binding energy of the protein-ligand complex (ID1-6mgn); (E)
Energy contribution of each amino acid residue in the
protein-ligand complex (TGIF2-2dmn); (F) Total binding energy of
the protein-ligand complex (TGIF2-2dmn).

Figure 8

Free energy landscape of molecular
dynamics simulation. (A) BMP2-1rew; (B) ID1-6mgn and (C)
TGIF2-2dmn. RMSD, root mean square deviation
View References

1 

Cohen PA, Jhingran A, Oaknin A and Denny L: Cervical cancer. Lancet. 393:169–182. 2019. View Article : Google Scholar : PubMed/NCBI

2 

Kokhdan EP, Khodavandi P, Ataeyan MH, Alizadeh F, Khodavandi A and Zaheri A: Anti-cancer activity of secreted aspartyl proteinase protein from Candida tropicalis on human cervical cancer HeLa cells. Toxicon. 249:1080732024. View Article : Google Scholar : PubMed/NCBI

3 

Bray F, Jemal A, Soerjomataram I, Siegel RL, Ferlay J, Sung H and Laversanne M: Global cancer statistics 2022: Globocan estimates of incidence and mortality worldwide for 36 cancers in 185 countries. CA Cancer J Clin. 74:229–263. 2024.PubMed/NCBI

4 

Luan H: Human papilloma virus infection and its associated risk for cervical lesions: A cross-sectional study in Putuo area of Shanghai, China. BMC Womens Health. 23:282023. View Article : Google Scholar : PubMed/NCBI

5 

Wang R, Pan W, Jin L, Huang W, Li Y, Wu D, Gao C, Ma D and Liao S: Human papillomavirus vaccine against cervical cancer: Opportunity and challenge. Cancer Lett. 471:88–102. 2020. View Article : Google Scholar : PubMed/NCBI

6 

Xu J, Tan ZC, Shen ZY, Shen XJ and Tang SM: Cordyceps cicadae polysaccharides inhibit human cervical cancer hela cells proliferation via apoptosis and cell cycle arrest. Food Chem Toxicol. 148:1119712021. View Article : Google Scholar : PubMed/NCBI

7 

Zhang X, Song Z, Li Y, Wang H, Zhang S, Reid AM, Lall N, Zhang J, Wang C, Lee D, et al: Cytotoxic and antiangiogenetic xanthones inhibiting tumor proliferation and metastasis from garcinia xipshuanbannaensis. J Nat Prod. 84:1515–1523. 2021. View Article : Google Scholar : PubMed/NCBI

8 

Kusari S, Hertweck C and Spiteller M: Chemical ecology of endophytic fungi: Origins of secondary metabolites. Chem Biol. 19:792–798. 2012. View Article : Google Scholar : PubMed/NCBI

9 

Zhang HW, Song YC and Tan RX: Biology and chemistry of endophytes. Nat Prod Rep. 23:753–771. 2006. View Article : Google Scholar : PubMed/NCBI

10 

Bashyal BP, Wijeratne EM, Tillotson J, Arnold AE, Chapman E and Gunatilaka AA: Chlorinated dehydrocurvularins and alterperylenepoxide A from Alternaria sp. AST0039, a fungal endophyte of Astragalus lentiginosus. J Nat Prod. 80:427–433. 2017. View Article : Google Scholar : PubMed/NCBI

11 

Li SJ, Zhang X, Wang XH and Zhao CQ: Novel natural compounds from endophytic fungi with anticancer activity. Eur J Med Chem. 156:316–343. 2018. View Article : Google Scholar : PubMed/NCBI

12 

Zhu M, Zhang X, Feng H, Dai J, Li J, Che Q, Gu Q, Zhu T and Li D: Penicisulfuranols A-F, alkaloids from the mangrove endophytic fungus Penicillium janthinellum HDN13-309. J Nat Prod. 80:71–75. 2017. View Article : Google Scholar : PubMed/NCBI

13 

Chakravarthi BV, Sujay R, Kuriakose GC, Karande AA and Jayabaskaran C: Inhibition of cancer cell proliferation and apoptosis-inducing activity of fungal taxol and its precursor baccatin III purified from endophytic Fusarium solani. Cancer Cell Int. 13:1052013. View Article : Google Scholar : PubMed/NCBI

14 

Wu LS, Hu CL, Han T, Zheng CJ, Ma XQ, Rahman K and Qin LP: Cytotoxic metabolites from Perenniporia tephropora, an endophytic fungus from Taxus chinensis var. mairei. Appl Microbiol Biotechnol. 97:305–315. 2013. View Article : Google Scholar : PubMed/NCBI

15 

Uzor PF, Ebrahim W, Osadebe PO, Nwodo JN, Okoye FB, Müller WE, Lin W, Liu Z and Proksch P: Metabolites from Combretum dolichopetalum and its associated endophytic fungus Nigrospora oryzae-evidence for a metabolic partnership. Fitoterapia. 105:147–150. 2015. View Article : Google Scholar : PubMed/NCBI

16 

Wani MC, Taylor HL, Wall ME, Coggon P and McPhail AT: Plant antitumor agents. VI. The isolation and structure of taxol, a novel antileukemic and antitumor agent from Taxus brevifolia. J Am Chem Soc. 93:2325–2327. 1971. View Article : Google Scholar : PubMed/NCBI

17 

Zaiyou J, Li M, Xu G and Zhou X: Isolation of an endophytic fungus producing baccatin III from Taxus wallichiana var. mairei. J Ind Microbiol Biotechnol. 40:1297–1302. 2013. View Article : Google Scholar : PubMed/NCBI

18 

Zaiyou J, Li M and Xiqiao H: An endophytic fungus efficiently producing paclitaxel isolated from Taxus wallichiana var. mairei. Medicine (Baltimore). 96:e74062017. View Article : Google Scholar : PubMed/NCBI

19 

Fan ZY, Peng J, Lou JQ, Chen Y, Wu XM, Tan R and Tan RX: Neuroprotective α-pyrones from Nigrospora oryzae, an endophytic fungus residing in Taxus chinensis var. mairei. Phytochemistry. 216:1138732023. View Article : Google Scholar : PubMed/NCBI

20 

Hu D, Fan Y, Tan Y, Tian Y, Liu N, Wang L, Zhao D, Wang C and Wu A: Metabolic profiling on alternaria toxins and components of Xinjiang Jujubes incubated with pathogenic alternaria Alternata and Alternaria tenuissima via orbitrap high-resolution mass spectrometry. J Agri Food Chem. 65:8466–8474. 2017. View Article : Google Scholar : PubMed/NCBI

21 

Andersen B, Nielsen KF, Fernández Pinto V and Patriarca A: Characterization of Alternaria strains from Argentinean blueberry, tomato, walnut and wheat. Int J Food Microbiol. 196:1–10. 2015. View Article : Google Scholar : PubMed/NCBI

22 

Yang CL, Wu HM, Liu CL, Zhang X, Guo ZK, Chen Y, Liu F, Liang Y, Jiao RH, Tan RX and Ge HM: Bialternacins A-F, aromatic polyketide dimers from an endophytic Alternaria sp. J Nat Prod. 82:792–797. 2019. View Article : Google Scholar : PubMed/NCBI

23 

Xi J, Tian LL, Xi J, Girimpuhwe D, Huang C, Ma R, Yao X, Shi D, Bai Z, Wu QX and Fang J: Alterperylenol as a novel thioredoxin reductase inhibitor induces liver cancer cell apoptosis and ferroptosis. J Agric Food Chem. 70:15763–15775. 2022. View Article : Google Scholar : PubMed/NCBI

24 

Li L, Yang M, Yu J, Cheng S, Ahmad M, Wu C, Wan X, Xu B, Ben-David Y and Luo H: A novel L-phenylalanine dipeptide inhibits the growth and metastasis of prostate cancer cells via targeting DUSP1 and TNFSF9. Int J Mol Sci. 23:109162022. View Article : Google Scholar : PubMed/NCBI

25 

Liu Y, Xin ZZ, Song J, Zhu XY, Liu QN, Zhang DZ, Tang BP, Zhou CL and Dai LS: Transcriptome analysis reveals potential antioxidant defense mechanisms in Antheraea pernyi in response to zinc stress. J Agric Food Chem. 66:8132–8141. 2018. View Article : Google Scholar : PubMed/NCBI

26 

Chen C, Chen H, Zhang Y, Thomas HR, Frank MH, He Y and Xia R: TBtools: An integrative toolkit developed for interactive analyses of big biological data. Mol Plant. 13:1194–1202. 2020. View Article : Google Scholar : PubMed/NCBI

27 

Livak KJ and Schmittgen TD: Analysis of relative gene expression data using real-time quantitative PCR and the 2(−Delta Delta C(T)) method. Methods. 25:402–408. 2001. View Article : Google Scholar : PubMed/NCBI

28 

Case DA, Aktulga HM, Belfon K, Cerutti DS, Cisneros GA, Cruzeiro VWD, Forouzesh N, Giese TJ, Götz AW, Gohlke H, et al: Amber Tools. J Chem Inf Model. 63:6183–6191. 2023. View Article : Google Scholar : PubMed/NCBI

29 

Shaw DE, Maragakis P, Lindorff-Larsen K, Piana S, Dror RO, Eastwood MP, Bank JA, Jumper JM, Salmon JK, Shan Y and Wriggers W: Atomic-level characterization of the structural dynamics of proteins. Science. 330:341–346. 2010. View Article : Google Scholar : PubMed/NCBI

30 

Tian C, Kasavajhala K, Belfon KAA, Raguette L, Huang H, Migues AN, Bickel J, Wang Y, Pincay J, Wu Q and Simmerling C: ff19SB: Amino-acid-specific protein backbone parameters trained against quantum mechanics energy surfaces in solution. J Chem Theory Comput. 16:528–552. 2020. View Article : Google Scholar : PubMed/NCBI

31 

Izadi S, Anandakrishnan R and Onufriev AV: Building water models: A different approach. J Phys Chem Lett. 5:3863–3871. 2014. View Article : Google Scholar : PubMed/NCBI

32 

Wang H, Gao X and Fang J: Multiple staggered mesh ewald: Boosting the accuracy of the smooth particle mesh ewald method. J Chem Theory Comput. 12:5596–5608. 2016. View Article : Google Scholar : PubMed/NCBI

33 

Donnelly SM, Lopez NA and Dodin IY: Steepest-descent algorithm for simulating plasma-wave caustics via metaplectic geometrical optics. Phys Rev E. 104:0253042021. View Article : Google Scholar : PubMed/NCBI

34 

Bussi G, Donadio D and Parrinello M: Canonical sampling through velocity rescaling. J Chem Phys. 126:0141012007. View Article : Google Scholar : PubMed/NCBI

35 

Nosé S and Klein ML: Constant pressure molecular dynamics for molecular systems. Mol Phys. 50:1055–1076. 1983. View Article : Google Scholar

36 

Zhang SY, Li ZL, Bai J, Wang Y, Zhang LM, Wu X and Hua HM: A new perylenequinone from a halotolerant fungus, Alternaria sp. M6. Chin J Nat Med. 10:68–71. 2012. View Article : Google Scholar : PubMed/NCBI

37 

Campos FR, Barison A, Daolio C, Ferreira AG and Rodrigues-Fo E: Complete 1H and 13C NMR assignments of aurasperone A and fonsecinone A, two bis-naphthopyrones produced by Aspergillus aculeatus. Magn Reson Chem. 43:962–965. 2005. View Article : Google Scholar : PubMed/NCBI

38 

Xiong HY, Fei DQ, Zhou JS, Yang CJ and Ma GL: Steroids and other constituents from the mushroom Armillaria lueo-virens. Chem Nat Compd. 45:759–761. 2009. View Article : Google Scholar

39 

Wu J, Choi JH, Yoshida M, Hirai H, Harada E, Masuda K, Koyama T, Yazawa K, Noguchi K, Nagasawa K and Kawagishi H: Osteoclast-forming suppressing compounds, gargalols A, B, and C, from the edible mushroom Grifola gargal. Tetrahedron. 67:6576–6581. 2011. View Article : Google Scholar

40 

Yue JM, Chen SN, Lin ZW and Sun HD: Sterols from the fungus lactarium volemus. Phytochemistry. 56:801–806. 2001. View Article : Google Scholar : PubMed/NCBI

41 

Ding T, Zhou Y, Qin JJ, Yang LJ, Zhang WD and Shen YH: Chemical constituents from wetland soil fungus penicillium oxalicum GY1. Fitoterapia. 142:1045302020. View Article : Google Scholar : PubMed/NCBI

42 

Liu S, Sun C, Ha Y, Ma M, Wang N, Zhou Y and Zhang Z: Novel antibacterial alkaloids from the mariana trench-derived actinomycete streptomyces sp. SY2255. Tetrahedron Lett. 137:1549352024. View Article : Google Scholar

43 

Wu B, Lin WH, Gao HY, Zheng L, Wu LJ and Kim CS: Four new antibacterial constituents from Senecio cannabifolius. Pharm Biol. 44:440–444. 2006. View Article : Google Scholar

44 

Pitera JW: Expected distributions of root-mean-square positional deviations in proteins. J Phys Chem B. 118:6526–6530. 2014. View Article : Google Scholar : PubMed/NCBI

45 

Trott O and Olson AJ: AutoDock vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J Comput Chem. 31:455–461. 2010. View Article : Google Scholar : PubMed/NCBI

46 

Fu Y, Wu F, Huang JH, Chen YC and Luo MB: Simulation study on the extension of semi-flexible polymer chains in cylindrical channel. Chin J Polym Sci. 37:1053–1060. 2019. View Article : Google Scholar

47 

Cao X, Hummel MH, Wang Y, Simmerling C and Coutsias EA: Exact analytical algorithm for the solvent-accessible surface area and derivatives in implicit solvent molecular simulations on GPUs. J Chem Theory Comput. 20:4456–4468. 2024. View Article : Google Scholar : PubMed/NCBI

48 

Wang Y and Wang Y: HBCalculator: A tool for hydrogen bond distribution calculations in molecular dynamics simulations. J Chem Inf Model. 64:1772–1777. 2024. View Article : Google Scholar : PubMed/NCBI

49 

Jiang D, Du H, Zhao H, Deng Y, Wu Z, Wang J, Zeng Y, Zhang H, Wang X, Wang E, et al: Assessing the performance of MM/PBSA and MM/GBSA methods. 10. Prediction reliability of binding affinities and binding poses for RNA-ligand complexes. Phys Chem Chem Phys. 26:10323–10335. 2024. View Article : Google Scholar : PubMed/NCBI

50 

Liao Q: Enhanced sampling and free energy calculations for protein simulations. Prog Mol Biol Transl Sci. 170:177–213. 2020. View Article : Google Scholar : PubMed/NCBI

51 

Bai F, Xu Y, Chen J, Liu Q, Gu J, Wang X, Ma J, Li H, Onuchic JN and Jiang H: Free energy landscape for the binding process of Huperzine A to acetylcholinesterase. Proc Natl Acad Sci USA. 110:4273–4278. 2013. View Article : Google Scholar : PubMed/NCBI

52 

Zhang Z, Liu M, An Y, Gao C, Wang T, Zhang Z, Zhang G, Li S, Li W, Li M and Wang G: Targeting immune microenvironment in cervical cancer: Current research and advances. J Transl Med. 23:8882025. View Article : Google Scholar : PubMed/NCBI

53 

Sharma S, Deep A and Sharma AK: Current treatment for cervical cancer: An update. Anticancer Agents Med Chem. 20:1768–1779. 2020. View Article : Google Scholar : PubMed/NCBI

54 

Barra F, Lorusso D, Leone Roberti Maggiore U, Ditto A, Bogani G, Raspagliesi F and Ferrero S: Investigational drugs for the treatment of cervical cancer. Expert Opin Investig Drugs. 26:389–402. 2017. View Article : Google Scholar : PubMed/NCBI

55 

Giudice E, Mirza MR and Lorusso D: Advances in the management of recurrent cervical cancer: State of the art and future perspectives. Curr Oncol Rep. 25:1307–1326. 2023. View Article : Google Scholar : PubMed/NCBI

56 

Newman DJ and Giddings LA: Natural products as leads to antitumor drugs. Phytochem Rev. 13:123–137. 2014. View Article : Google Scholar

57 

Baek SH: Editorial for the special issue ‘Anticancer activity and metabolic pathways of natural products 2.0’. Biomedicines. 13:20832025. View Article : Google Scholar : PubMed/NCBI

58 

Pero RW, Posner H, Blois M, Harvan D and Spalding JW: Toxicity of metabolites produced by the ‘Alternaria’. Environ Health Perspect. 4:87–94. 1973. View Article : Google Scholar : PubMed/NCBI

59 

Fang ZF, Yu SS, Zhou WQ, Chen XG, Ma SG, Li Y and Qu J: A new isocoumarin from metabolites of the endophytic fungus Alternaria tenuissima (Nees & T. Nees: Fr.) Wiltshire. Chinese Chem Lett. 23:317–320. 2012. View Article : Google Scholar

60 

Ma Y, Lin Q, Yang Y, Liang W, Salamone SJ, Li Y, Lin Y, Zhao H, Zhao Y, Fang W, et al: Clinical pharmacokinetics and drug exposure-toxicity correlation study of docetaxel based chemotherapy in Chinese head and neck cancer patients. Ann Transl Med. 8:2362020. View Article : Google Scholar : PubMed/NCBI

61 

Yang Z, Liu Z, Ablise M, Jia J, Maimaiti A, Lv ZY, Mutalipu Z, Yan T, Wang Y, Aihaiti A, et al: Design, synthesis, and in vitro and in vivo anti-drug resistant cervical cancer activity of novel licochalcone A derivatives based on dual targeting of VEGFR-2/P-gp. Bioorg Chem. 163:1086392025. View Article : Google Scholar : PubMed/NCBI

62 

Zafar A, Khatoon S, Khan MJ, Abu J and Naeem A: Advancements and limitations in traditional anti-cancer therapies: A comprehensive review of surgery, chemotherapy, radiation therapy, and hormonal therapy. Discov Oncol. 16:6072025. View Article : Google Scholar : PubMed/NCBI

63 

Raman R, Debata S, Govindarajan T and Kumar P: Targeting triple-negative breast cancer: Resistance mechanisms and therapeutic advancements. Cancer Med. 14:e708032025. View Article : Google Scholar : PubMed/NCBI

64 

Li W, Xu F, Shuai W, Sun H, Yao H, Ma C, Xu S, Yao H, Zhu Z, Yang DH, et al: Discovery of novel quinoline-chalcone derivatives as potent antitumor agents with microtubule polymerization inhibitory activity. J Med Chem. 62:993–1013. 2019. View Article : Google Scholar : PubMed/NCBI

65 

França GS, Baron M, King BR, Bossowski JP, Bjornberg A, Pour M, Rao A, Patel AS, Misirlioglu S, Barkley D, et al: Cellular adaptation to cancer therapy along a resistance continuum. Nature. 631:876–883. 2024. View Article : Google Scholar : PubMed/NCBI

66 

Pang L, Cheng Y, Zou S and Song J: Long noncoding RNA SNHG7 contributes to cell proliferation, migration, invasion and epithelial to mesenchymal transition in non-small cell lung cancer by regulating miR-449a/TGIF2 axis. Thorac Cancer. 11:264–276. 2020. View Article : Google Scholar : PubMed/NCBI

67 

Liu K, Zhang Y, Liu L and Yuan Q: MALAT1 promotes proliferation, migration, and invasion of MG63 cells by upregulation of TGIF2 via negatively regulating miR-129. Onco Targets Ther. 11:8729–8740. 2018. View Article : Google Scholar : PubMed/NCBI

68 

Xi L, Zhang Y, Kong S and Liang W: miR-34 inhibits growth and promotes apoptosis of osteosarcoma in nude mice through targetly regulating TGIF2 expression. Biosci Rep. 38:BSR201800782018. View Article : Google Scholar : PubMed/NCBI

69 

Weiler S, Ademokun JA and Norton JD: ID helix-loop-helix proteins as determinants of cell survival in B-cell chronic lymphocytic leukemia cells in vitro. Mol Cancer. 14:302015. View Article : Google Scholar : PubMed/NCBI

70 

Ruzinova MB and Benezra R: Id proteins in development, cell cycle and cancer. Trends Cell Biol. 13:410–418. 2003. View Article : Google Scholar : PubMed/NCBI

71 

Ouyang XS, Wang X, Ling MT, Wong HL, Tsao SW and Wong YC: Id-1 stimu-lates serum independent prostate cancer cell proliferation through inactivation of p16(INK4a)/pRB pathway. Carcinogenesis. 23:721–725. 2002. View Article : Google Scholar : PubMed/NCBI

72 

Ling MT, Wang X, Ouyang XS, Lee TK, Fan TY, Xu K, Tsao SW and Wong YC: Activation of MAPK signaling pathway is essential for Id-1 induced serum independent prostate cancer cell growth. Oncogene. 21:8498–8505. 2002. View Article : Google Scholar : PubMed/NCBI

73 

Su Y, Zheng L, Wang Q, Bao J, Cai Z and Liu A: The PI3K/Akt pathway upregulates Id1 and integrin α4 to enhance recruitment of human ovarian cancer endothelial progenitor cells. BMC Cancer. 10:4592010. View Article : Google Scholar : PubMed/NCBI

74 

Sun WZ, Li MH, Chu M, Wei LL, Bi MY, He Y and Yu LB: Id1 knockdown induces the apoptosis and inhibits the proliferation and invasion of ovarian cancer cells. Eur Rev Med Pharmacol Sci. 20:2812–2818. 2016.PubMed/NCBI

75 

Papaspyridonos M, Matei I, Huang Y, do Rosario Andre M, Brazier-Mitouart H, Waite JC, Chan AS, Kalter J, Ramos I, Wu Q, et al: Id1 suppresses anti-tumour immune responses and promotes tumour progression by impairing myeloid cell maturation. Nat Commun. 6:68402015. View Article : Google Scholar : PubMed/NCBI

76 

Wang MH, Zhou XM, Zhang MY, Shi L, Xiao RW, Zeng LS, Yang XZ, Zheng XFS, Wang HY and Mai SJ: BMP2 promotes proliferation and invasion of nasopharyngeal carcinoma cells via mTORC1 pathway. Aging (Albany NY). 9:1326–1340. 2017. View Article : Google Scholar : PubMed/NCBI

77 

Lan L, Evan T, Li H, Hussain A, Ruiz EJ, Zaw Thin M, Ferreira RMM, Ps H, Riising EM, Zen Y, et al: GREM1 is required to maintain cellular heterogeneity in pancreatic cancer. Nature. 607:163–168. 2022. View Article : Google Scholar : PubMed/NCBI

78 

Huang S, Wang Y, Luo L, Li X, Jin X, Li S, Yu X, Yang M and Guo Z: BMP2 is related to Hirschsprung's disease and required for enteric nervous system development. Front Cell Neurosci. 13:5232019. View Article : Google Scholar : PubMed/NCBI

79 

Du M, Su XM, Zhang T and Xing YJ: Aberrant promoter DNA methylation inhibits bone morphogenetic protein 2 expression and contributes to drug resistance in breast cancer. Mol Med Rep. 10:1051–1055. 2014. View Article : Google Scholar : PubMed/NCBI

80 

Waite KA and Eng C: BMP2 exposure results in decreased PTEN protein degradation and increased PTEN levels. Hum Mol Genet. 12:679–684. 2003. View Article : Google Scholar : PubMed/NCBI

81 

Buijs JT, van der Horst G, van den Hoogen C, Cheung H, de Rooij B, Kroon J, Petersen M, van Overveld PG, Pelger RC and van der Pluijm G: The BMP2/7 heterodimer inhibits the human breast cancer stem cell subpopulation and bone metastases formation. Oncogene. 31:2164–2174. 2012. View Article : Google Scholar : PubMed/NCBI

82 

Xiao B, Zhang W, Kuang Z, Lu J, Li W, Deng C, He Y, Lei T, Hao W, Sun Z and Li L: SOX9 promotes nasopharyngeal carcinoma cell proliferation, migration and invasion through BMP2 and mTOR signaling. Gene. 715:1440172019. View Article : Google Scholar : PubMed/NCBI

83 

Chen Z, Yuan L, Li X, Yu J and Xu Z: BMP2 inhibits cell proliferation by downregulating EZH2 in gastric cancer. Cell Cycle. 21:2298–2308. 2022. View Article : Google Scholar : PubMed/NCBI

84 

Vora M, Mondal A, Jia D, Gaddipati P, Akel M, Gilleran J, Roberge J, Rongo C and Langenfeld J: Bone morphogenetic protein signaling regulation of AMPK and PI3K in lung cancer cells and C. elegans. Cell Biosci. 12:762022. View Article : Google Scholar : PubMed/NCBI

85 

Mao J, Yu Y, Yang J, Li G, Li C, Qi X, Wen T and Hu J: Comparative transcriptome analysis of sweet corn seedlings under low-temperature stress. Crop J. 5:396–406. 2017. View Article : Google Scholar

86 

Chen L, Zhang Y, Chen H, Zhang X, Liu X, He Z, Cong P, Chen Y and Mo D: Comparative transcriptome analysis reveals a more complicated adipogenic process in intramuscular stem cells than that of subcutaneous vascular stem cells. J Agric Food Chem. 67:4700–4708. 2019. View Article : Google Scholar : PubMed/NCBI

87 

Zhao W, Li J, Chen MM, Luo Y, Ju Z, Nesser NK, Johnson-Camacho K, Boniface CT, Lawrence Y, Pande NT, et al: Large-scale characterization of drug responses of clinically relevant proteins in cancer cell lines. Cancer Cell. 38:829–843.e4. 2020. View Article : Google Scholar : PubMed/NCBI

88 

Istyastono EP, Radifar M, Yuniarti N, Prasasty VD and Mungkasi S: PyPLIF HIPPOS: A molecular interaction fingerprinting tool for docking results of autoDock vina and PLANTS. J Chem Inf Model. 60:3697–3702. 2020. View Article : Google Scholar : PubMed/NCBI

89 

Errington D, Schneider C, Bouysset C and Dreyer FA: Assessing interaction recovery of predicted protein-ligand poses. J Cheminform. 17:762025. View Article : Google Scholar : PubMed/NCBI

90 

Wang L, Zhang J, Zhang W, Zheng M, Guo H, Pan X, Li W, Yang B and Ding L: The inhibitory effect of adenosine on tumor adaptive immunity and intervention strategies. Acta Pharm Sin B. 14:1951–1964. 2024. View Article : Google Scholar : PubMed/NCBI

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Copy and paste a formatted citation
Spandidos Publications style
Yang M, Lu Y, Han L, He Z and Kang J: Dihydroalterperylenol from endophytic fungus <em>Alternaria semiverrucosa</em> and its antitumour activity uncovered by transcriptome analysis, molecular docking and molecular dynamics simulations. Mol Med Rep 33: 30, 2026.
APA
Yang, M., Lu, Y., Han, L., He, Z., & Kang, J. (2026). Dihydroalterperylenol from endophytic fungus <em>Alternaria semiverrucosa</em> and its antitumour activity uncovered by transcriptome analysis, molecular docking and molecular dynamics simulations. Molecular Medicine Reports, 33, 30. https://doi.org/10.3892/mmr.2025.13740
MLA
Yang, M., Lu, Y., Han, L., He, Z., Kang, J."Dihydroalterperylenol from endophytic fungus <em>Alternaria semiverrucosa</em> and its antitumour activity uncovered by transcriptome analysis, molecular docking and molecular dynamics simulations". Molecular Medicine Reports 33.1 (2026): 30.
Chicago
Yang, M., Lu, Y., Han, L., He, Z., Kang, J."Dihydroalterperylenol from endophytic fungus <em>Alternaria semiverrucosa</em> and its antitumour activity uncovered by transcriptome analysis, molecular docking and molecular dynamics simulations". Molecular Medicine Reports 33, no. 1 (2026): 30. https://doi.org/10.3892/mmr.2025.13740
Copy and paste a formatted citation
x
Spandidos Publications style
Yang M, Lu Y, Han L, He Z and Kang J: Dihydroalterperylenol from endophytic fungus <em>Alternaria semiverrucosa</em> and its antitumour activity uncovered by transcriptome analysis, molecular docking and molecular dynamics simulations. Mol Med Rep 33: 30, 2026.
APA
Yang, M., Lu, Y., Han, L., He, Z., & Kang, J. (2026). Dihydroalterperylenol from endophytic fungus <em>Alternaria semiverrucosa</em> and its antitumour activity uncovered by transcriptome analysis, molecular docking and molecular dynamics simulations. Molecular Medicine Reports, 33, 30. https://doi.org/10.3892/mmr.2025.13740
MLA
Yang, M., Lu, Y., Han, L., He, Z., Kang, J."Dihydroalterperylenol from endophytic fungus <em>Alternaria semiverrucosa</em> and its antitumour activity uncovered by transcriptome analysis, molecular docking and molecular dynamics simulations". Molecular Medicine Reports 33.1 (2026): 30.
Chicago
Yang, M., Lu, Y., Han, L., He, Z., Kang, J."Dihydroalterperylenol from endophytic fungus <em>Alternaria semiverrucosa</em> and its antitumour activity uncovered by transcriptome analysis, molecular docking and molecular dynamics simulations". Molecular Medicine Reports 33, no. 1 (2026): 30. https://doi.org/10.3892/mmr.2025.13740
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