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Year 2024, Volume: 11 Issue: 4, 78 - 88, 25.12.2024

Abstract

References

  • Aertgeerts, K., Skene, R., Yano, J., Sang, B. C., Zou, H., Snell, G., Jenning, A., Iwamoto, K., Habuka, N., Hirokawa, A., Ishikawa, T., Tanaka, T., Miki, H., Ohta, Y., Sogabe, S. (2011). Structural analysis of the mechanism of inhibition and allosteric activation of the kinase domain of HER2 protein. Journal of Biological Chemistry, 286(21), 18756-18765.
  • Dai, Y., Wang, W., Sun, Q., Tuohayi, J. (2018). Ginsenoside Rg3 promotes the antitumor activity of gefitinib in lung cancer cell lines. Experimental and Therapeutic Medicine, 17(1), 953-959.
  • Daina, A., Michielin, O., Zoete, V. (2019). SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules. Nucleic Acids Research, 47(W1), W357-W364.
  • de Magalhâes, C. S., Almeida, D. M., Barbosa, H. J. C., Dardenne, L. E. (2014). A dynamic niching genetic algorithm strategy for docking highly flexible ligands. Information Sciences, 289, 206-224.
  • Duke, J. A. (1992). Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
  • Feng, T., Wan, Y., Dai, B., Liu, Y. (2023). Anticancer activity of bitter melon-derived vesicles extract against breast cancer. Cells, 12(6), 824.
  • Funakoshi, Y., Wang, Y., Semba, T., Masuda, H., Hout, D., Ueno, N. T., Wang, X. (2019). Comparison of molecular profile in triple-negative inflammatory and non-inflammatory breast cancer not of mesenchymal stem-like subtype. PLOS ONE, 14(9), e0222336.
  • Grosdidier, A., Zoete, V., Michielin, O. (2011). SwissDock, a protein-small molecule docking web service based on EADock DSS. Nucleic Acids Research, 39, W270-W277.
  • Grosdidier, Aurelien, Zoete, V., Michielin, O. (2011). Fast docking using the CHARMM force field with EADock DSS. Journal of Computational Chemistry, 32(10), 2149-2159.
  • Guedes, I. A., Barreto, A. M. S., Marinho, D., Krempser, E., Kuenemann, M. A., Sperandio, O., Dardenne, L. E., Miteva, M. A. (2021). New machine learning and physics-based scoring functions for drug discovery. Scientific Reports, 11(1), 3198.
  • Guedes, I. A., Costa, L. S. C., dos Santos, K. B., Karl, A. L. M., Rocha, G. K., Teixeira, I. M., Galheigo, M. M., Medeiros, V., Krempser, E., Custodio, F. L., Barbosa, H. J. C., Nicolas, M. F., Dardenne, L. E. (2021). Drug design and repurposing with DockThor-VS web server focusing on SARS-CoV-2 therapeutic targets and their non-synonym variants. Scientific Reports, 11(1), 5543.
  • Harbeck, N., Penault-Llorca, F., Cortes, J., Gnant, M., Houssami, N., Poortmans, P., Ruddy, K., Tsang, J., Cardoso, F. (2019). Breast cancer. Nature Reviews Disease Primers, 5(1),66.
  • Hong, R., Xu, B. (2022). Breast cancer: an up-to-date review and future perspectives. Cancer Communications, 42(10), 913-936.
  • Hsu, K. C., Chen, Y. F., Lin, S. R., Yang, J. M. (2011). iGEMDOCK: a graphical environment of enhancing GEMDOCK using pharmacological interactions and post-screening analysis. BMC Bioinformatics, 12, S33.
  • Jamroz, M., Kolinski, A., Kmiecik, S. (2014). CABS-flex predictions of protein flexibility compared with NMR ensembles. Bioinformatics, 30(15), 2150-2154.
  • Jimenez, J., Doerr, S., Martmez-Rosell, G., Rose, A. S., De Fabritiis, G. (2017). DeepSite: protein-binding site predictor using 3D-convolutional neural networks. Bioinformatics, 33(19), 3036-3042.
  • Jin, Y., Liu, T., Luo, H., Liu, Y., Liu, D. (2022). Targeting epigenetic regulatory enzymes for cancer therapeutics: novel small-molecule epidrug development. Frontiers in Oncology, 12, 848221.
  • Kilcar, A. Y., Yildiz, O., Dogan, T., Sulu, E., Takan, G., Muftuler, F. Z. B. (2020). The effect of bitter melon (Momordica charantia) extract on the uptake of 99mtc labeled paclitaxel: in vitro monitoring in breast cancer cells. Anti-Cancer Agents in Medicinal Chemistry, 20(12), 1497-1503.
  • Kim, S., Thiessen, P. A., Bolton, E. E., Chen, J., Fu, G., Gindulyte, A., Han, L., He, J., He, S., Shoemaker, Wang, J.,Yu, B., Zhang, J., B. A., Bryant, S. H. (2015). PubChem Substance and Compound databases. Nucleic Acids Research, 44(D1), D1202-D1213.
  • Kmiecik, S., Gront, D., Kolinski, M., Wieteska, L., Dawid, A. E., Kolinski, A. (2016). Coarse-grained protein models and their applications. Chemical Reviews, 116(14), 7898-7936.
  • Kurcinski, M., Oleniecki, T., Ciemny, M. P., Kuriata, A., Kolinski, A., Kmiecik, S. (2018). CABS-flex standalone: a simulation environment for fast modeling of protein flexibility. Bioinformatics, 35(4), 694-695.
  • Lee, J. S., Yoon, I. S., Lee, M. S., Cha, E. Y., Thuong, P. T., Diep, T. T., Kim, J. R. (2013). Anticancer activity of pristimerin in epidermal growth factor receptor 2-positive skbr3 human breast cancer cells. Biological and Pharmaceutical Bulletin, 36(2), 316-325.
  • Li, S., Gao, Y., Ma, W., Guo, W., Zhou, G., Cheng, T., Liu, Y. (2014). EGFR signaling-dependent inhibition of glioblastoma growth by ginsenoside Rh2. Tumor Biology, 35(6), 5593-5598.
  • Li, Z., Xia, A., Li, S., Yang, G., Jin, W., Zhang, M., Wang, S. (2020). The pharmacological properties and therapeutic use of bitter melon (Momordica charantia L.). Current Pharmacology Reports, 6, 103-109.
  • Lukasiewicz, S., Czeczelewski, M., Forma, A., Baj, J., Sitarz, R., Stanislawek, A. (2021). Breast cancer— epidemiology, risk factors, classification, prognostic markers, and current treatment strategies—an updated review. Cancers, 13(17), 4287.
  • Mishra, R., Patel, H., Alanazi, S., Yuan, L., Garrett, J. T. (2018). HER3 signaling and targeted therapy in cancer. Oncology Reviews, 12(1), 355.
  • Muhammad, N., Steele, R., Isbell, T. S., Philips, N., Ray, R. B. (2017). Bitter melon extract inhibits breast cancer growth in preclinical model by inducing autophagic cell death. Oncotarget, 8(39), 66226 66236.
  • Nagasawa, H., Watanabe, K., Inatomi, H. (2002). Effects of bitter melon (Momordica charantia L.) or ginger rhizome (Zingiber offifinale Rosc) on spontaneous mammary tumorigenesis in shn mice. The American Journal of Chinese Medicine, 30, 195-205.
  • Nandini, D., Jennifer, A., Pradip, D. (2021). Therapeutic strategies for metastatic triple-negative breast cancers: from negative to positive. Pharmaceuticals, 14(5), 455.
  • Olivero-Acosta, M., Maldonado-Rojas, W., Olivero-Verbel, J. (2017). Natural products as chemopreventive agents by potential ınhibition of the kinase domain in ErbB receptors. Molecules, 22(2), 308.
  • Page, B. D. G., Valerie, N. C. K., Wright, R. H. G., Wallner, O., Isaksson, R., Carter, M., Rudd, S. G., Losevsa, O., Jemth ,A. S., Almlöf, I., Font-Mateu, J., Liona-Minguez, S., Baranczewski, P., Jeppsson, F., Homan, E., Almqvist, H., Axelsson, H., Regmi, S., Gustavsson, A. L., Lundback, T., Scobie, M., Strömberg, K., Stenmark, P., Beato, M., Helleday, T. (2018). Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells. Nature Communications, 9(1),250.
  • Pickup, K. E., Pardow, F., Carbonell-Caballero, J., Lioutas, A., Villanueva-Canas, J. L., Wright, R. H. G., Beato, M. (2019). Expression of oncogenic drivers in 3D cell culture depends on nuclear ATP synthesis by NUDT5. Cancers, 11(9), 1337.
  • Psilopatis, I., Vrettou, K., Giaginis, C., Theocharis, S. (2023). The Role of bitter melon in breast and gynecological cancer prevention and therapy. International Journal of Molecular Sciences, 24(10), 8918.
  • Rappe, A. K., Casewit, C. J., Colwell, K. S., Goddard, W. A., III, Skiff, W. M. (1992). UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. Journal of the American Chemical Society, 114(25), 10024-10035.
  • Ray, R. B., Raychoudhuri, A., Steele, R., Nerurkar, P. (2010). Bitter melon (Momordica charantia) extract ınhibits breast cancer cell proliferation by modulating cell cycle regulatory genes and promotes apoptosis. Cancer Research, 70(5), 1925-1931.
  • Santos, K. B., Guedes, I. A., Karl, A. L. M., Dardenne, L. E. (2020). Highly flexible ligand docking: benchmarking of the dockthor program on the LEADS-PEP protein-peptide data set. Journal of Chemical Information and Modeling, 60(2), 667-683.
  • Schlam, I., Swain, S. M. (2021). HER2-positive breast cancer and tyrosine kinase inhibitors: the time is now. Npj Breast Cancer, 7(1), 56.
  • Schöning-Stierand, K., Diedrich, K., Fahrrolfes, R., Flachsenberg, F., Meyder, A., Nittinger, E., Steinegger, R., Rarey, M. (2020). ProteinsPlus: interactive analysis of protein-ligand binding interfaces. Nucleic Acids Research, 48(W1), W48-W53.
  • Shi, F., Telesco, S. E., Liu, Y., Radhakrishnan, R., Lemmon, M. A. (2010). ErbB3/HER3 intracellular domain is competent to bind ATP and catalyze autophosphorylation. Proceedings of the National Academy of Sciences, 107(17), 7692-7697.
  • Shim, S. H., Sur, S., Steele, R., Albert, C. J., Huang, C., Ford, D. A., Ray, R. B. (2018). Disrupting cholesterol esterification by bitter melon suppresses triple-negative breast cancer cell growth. Molecular Carcinogenesis, 57(11), 1599-1607.
  • Smolarz, B., Nowak, A. Z., Romanowicz, H. (2022). Breast cancer—epidemiology, classification, pathogenesis and treatment (review of literature). Cancers, 14(10), 2569.
  • Stamos, J., Sliwkowski, M. X., Eigenbrot, C. (2002). Structure of the epidermal growth factor receptor kinase domain alone and in complex with a 4-anilinoquinazoline inhibitor. Journal of Biological Chemistry, 277(48), 46265-46272.
  • Stierand, K., Rarey, M. (2010). Drawing the PDB: protein-ligand complexes in two dimensions. ACS Medicinal Chemistry Letters, 1(9), 540-545.
  • Sur, S., Ray, R. B. (2020). Bitter melon (Momordica Charantia), a nutraceutical approach for cancer prevention and therapy. Cancers, 12(8), 2064.
  • Swaminathan, H., Saravanamurali, K., Yadav, S. A. (2023). Extensive review on breast cancer its etiology, progression, prognostic markers, and treatment. Medical Oncology, 40(8), 238.
  • Tong, C. W. S., Wu, M., Cho, W. C. S., To, K. K. W. (2018). Recent advances in the treatment of breast cancer. Frontiers in Oncology, 8, 227.
  • Wang, X.-J., Zhou, R.-J., Zhang, N., Jing, Z. (2019). 20(S)-ginsenoside Rg3 sensitizes human non-small cell lung cancer cells to icotinib through inhibition of autophagy. European Journal of Pharmacology, 850, 141-149.
  • Wright, R. H. G., Beato, M. (2021). Role of the NUDT enzymes in breast cancer. International Journal of Molecular Sciences, 22(5), 2267.
  • Xiong, G., Wu, Z., Yi, J., Fu, L., Yang, Z., Hsieh, C., Yin, M., Zeng, X., Wu, C., Lu, A., Chen, X., Hou, T., Cao, D. (2021). ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. Nucleic Acids Research, 49(W1), W5-W14.
  • Zhang, Y., Guan, J., Cui, J., Zhao, Y. (2010). Quantitative analysis of aglycone of momordicoside L from Momordica charantia in different areas by HPLC. Zhongguo Zhong yao za zhi= Zhongguo Zhongyao Zazhi= China Journal of Chinese Materia Medica, 35(5), 620-622.

Momordica charantia (Bitter Melon) Fruit Bioactive Compounds and Potential Inhibitory Effects of Breast Cancer-Related Enzymes: In silico Approaches

Year 2024, Volume: 11 Issue: 4, 78 - 88, 25.12.2024

Abstract

Breast cancer rates are on the rise, particularly among women. Ongoing research is focused on finding effective treatments for this form of cancer. For centuries, plants have been harnessed for their therapeutic properties, with their chemical compounds shedding light on drug development for a wide range of ailments. This investigation aims to explore the potential of certain bioactive 17 compounds present in Momordica charantia (MC) fruit, known to inhibit the growth of breast cancer tumours. Specifically, the study delves into their interactions with critical enzymes—epidermal growth factor receptor (EFGR) and nudix-linked to moiety X-5 (NUDT5)—that are implicated in breast cancer development, utilizing in silico methods. For this purpose, firstly, iGemdock, DockThor and SwissDock were used for the first evaluation and it was observed that the binding affinities of bioactive compounds. In all three docking, compound 16 (Momordicoside L) has shown better results than standard molecules in EGFR and NUDT5. The

References

  • Aertgeerts, K., Skene, R., Yano, J., Sang, B. C., Zou, H., Snell, G., Jenning, A., Iwamoto, K., Habuka, N., Hirokawa, A., Ishikawa, T., Tanaka, T., Miki, H., Ohta, Y., Sogabe, S. (2011). Structural analysis of the mechanism of inhibition and allosteric activation of the kinase domain of HER2 protein. Journal of Biological Chemistry, 286(21), 18756-18765.
  • Dai, Y., Wang, W., Sun, Q., Tuohayi, J. (2018). Ginsenoside Rg3 promotes the antitumor activity of gefitinib in lung cancer cell lines. Experimental and Therapeutic Medicine, 17(1), 953-959.
  • Daina, A., Michielin, O., Zoete, V. (2019). SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules. Nucleic Acids Research, 47(W1), W357-W364.
  • de Magalhâes, C. S., Almeida, D. M., Barbosa, H. J. C., Dardenne, L. E. (2014). A dynamic niching genetic algorithm strategy for docking highly flexible ligands. Information Sciences, 289, 206-224.
  • Duke, J. A. (1992). Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
  • Feng, T., Wan, Y., Dai, B., Liu, Y. (2023). Anticancer activity of bitter melon-derived vesicles extract against breast cancer. Cells, 12(6), 824.
  • Funakoshi, Y., Wang, Y., Semba, T., Masuda, H., Hout, D., Ueno, N. T., Wang, X. (2019). Comparison of molecular profile in triple-negative inflammatory and non-inflammatory breast cancer not of mesenchymal stem-like subtype. PLOS ONE, 14(9), e0222336.
  • Grosdidier, A., Zoete, V., Michielin, O. (2011). SwissDock, a protein-small molecule docking web service based on EADock DSS. Nucleic Acids Research, 39, W270-W277.
  • Grosdidier, Aurelien, Zoete, V., Michielin, O. (2011). Fast docking using the CHARMM force field with EADock DSS. Journal of Computational Chemistry, 32(10), 2149-2159.
  • Guedes, I. A., Barreto, A. M. S., Marinho, D., Krempser, E., Kuenemann, M. A., Sperandio, O., Dardenne, L. E., Miteva, M. A. (2021). New machine learning and physics-based scoring functions for drug discovery. Scientific Reports, 11(1), 3198.
  • Guedes, I. A., Costa, L. S. C., dos Santos, K. B., Karl, A. L. M., Rocha, G. K., Teixeira, I. M., Galheigo, M. M., Medeiros, V., Krempser, E., Custodio, F. L., Barbosa, H. J. C., Nicolas, M. F., Dardenne, L. E. (2021). Drug design and repurposing with DockThor-VS web server focusing on SARS-CoV-2 therapeutic targets and their non-synonym variants. Scientific Reports, 11(1), 5543.
  • Harbeck, N., Penault-Llorca, F., Cortes, J., Gnant, M., Houssami, N., Poortmans, P., Ruddy, K., Tsang, J., Cardoso, F. (2019). Breast cancer. Nature Reviews Disease Primers, 5(1),66.
  • Hong, R., Xu, B. (2022). Breast cancer: an up-to-date review and future perspectives. Cancer Communications, 42(10), 913-936.
  • Hsu, K. C., Chen, Y. F., Lin, S. R., Yang, J. M. (2011). iGEMDOCK: a graphical environment of enhancing GEMDOCK using pharmacological interactions and post-screening analysis. BMC Bioinformatics, 12, S33.
  • Jamroz, M., Kolinski, A., Kmiecik, S. (2014). CABS-flex predictions of protein flexibility compared with NMR ensembles. Bioinformatics, 30(15), 2150-2154.
  • Jimenez, J., Doerr, S., Martmez-Rosell, G., Rose, A. S., De Fabritiis, G. (2017). DeepSite: protein-binding site predictor using 3D-convolutional neural networks. Bioinformatics, 33(19), 3036-3042.
  • Jin, Y., Liu, T., Luo, H., Liu, Y., Liu, D. (2022). Targeting epigenetic regulatory enzymes for cancer therapeutics: novel small-molecule epidrug development. Frontiers in Oncology, 12, 848221.
  • Kilcar, A. Y., Yildiz, O., Dogan, T., Sulu, E., Takan, G., Muftuler, F. Z. B. (2020). The effect of bitter melon (Momordica charantia) extract on the uptake of 99mtc labeled paclitaxel: in vitro monitoring in breast cancer cells. Anti-Cancer Agents in Medicinal Chemistry, 20(12), 1497-1503.
  • Kim, S., Thiessen, P. A., Bolton, E. E., Chen, J., Fu, G., Gindulyte, A., Han, L., He, J., He, S., Shoemaker, Wang, J.,Yu, B., Zhang, J., B. A., Bryant, S. H. (2015). PubChem Substance and Compound databases. Nucleic Acids Research, 44(D1), D1202-D1213.
  • Kmiecik, S., Gront, D., Kolinski, M., Wieteska, L., Dawid, A. E., Kolinski, A. (2016). Coarse-grained protein models and their applications. Chemical Reviews, 116(14), 7898-7936.
  • Kurcinski, M., Oleniecki, T., Ciemny, M. P., Kuriata, A., Kolinski, A., Kmiecik, S. (2018). CABS-flex standalone: a simulation environment for fast modeling of protein flexibility. Bioinformatics, 35(4), 694-695.
  • Lee, J. S., Yoon, I. S., Lee, M. S., Cha, E. Y., Thuong, P. T., Diep, T. T., Kim, J. R. (2013). Anticancer activity of pristimerin in epidermal growth factor receptor 2-positive skbr3 human breast cancer cells. Biological and Pharmaceutical Bulletin, 36(2), 316-325.
  • Li, S., Gao, Y., Ma, W., Guo, W., Zhou, G., Cheng, T., Liu, Y. (2014). EGFR signaling-dependent inhibition of glioblastoma growth by ginsenoside Rh2. Tumor Biology, 35(6), 5593-5598.
  • Li, Z., Xia, A., Li, S., Yang, G., Jin, W., Zhang, M., Wang, S. (2020). The pharmacological properties and therapeutic use of bitter melon (Momordica charantia L.). Current Pharmacology Reports, 6, 103-109.
  • Lukasiewicz, S., Czeczelewski, M., Forma, A., Baj, J., Sitarz, R., Stanislawek, A. (2021). Breast cancer— epidemiology, risk factors, classification, prognostic markers, and current treatment strategies—an updated review. Cancers, 13(17), 4287.
  • Mishra, R., Patel, H., Alanazi, S., Yuan, L., Garrett, J. T. (2018). HER3 signaling and targeted therapy in cancer. Oncology Reviews, 12(1), 355.
  • Muhammad, N., Steele, R., Isbell, T. S., Philips, N., Ray, R. B. (2017). Bitter melon extract inhibits breast cancer growth in preclinical model by inducing autophagic cell death. Oncotarget, 8(39), 66226 66236.
  • Nagasawa, H., Watanabe, K., Inatomi, H. (2002). Effects of bitter melon (Momordica charantia L.) or ginger rhizome (Zingiber offifinale Rosc) on spontaneous mammary tumorigenesis in shn mice. The American Journal of Chinese Medicine, 30, 195-205.
  • Nandini, D., Jennifer, A., Pradip, D. (2021). Therapeutic strategies for metastatic triple-negative breast cancers: from negative to positive. Pharmaceuticals, 14(5), 455.
  • Olivero-Acosta, M., Maldonado-Rojas, W., Olivero-Verbel, J. (2017). Natural products as chemopreventive agents by potential ınhibition of the kinase domain in ErbB receptors. Molecules, 22(2), 308.
  • Page, B. D. G., Valerie, N. C. K., Wright, R. H. G., Wallner, O., Isaksson, R., Carter, M., Rudd, S. G., Losevsa, O., Jemth ,A. S., Almlöf, I., Font-Mateu, J., Liona-Minguez, S., Baranczewski, P., Jeppsson, F., Homan, E., Almqvist, H., Axelsson, H., Regmi, S., Gustavsson, A. L., Lundback, T., Scobie, M., Strömberg, K., Stenmark, P., Beato, M., Helleday, T. (2018). Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells. Nature Communications, 9(1),250.
  • Pickup, K. E., Pardow, F., Carbonell-Caballero, J., Lioutas, A., Villanueva-Canas, J. L., Wright, R. H. G., Beato, M. (2019). Expression of oncogenic drivers in 3D cell culture depends on nuclear ATP synthesis by NUDT5. Cancers, 11(9), 1337.
  • Psilopatis, I., Vrettou, K., Giaginis, C., Theocharis, S. (2023). The Role of bitter melon in breast and gynecological cancer prevention and therapy. International Journal of Molecular Sciences, 24(10), 8918.
  • Rappe, A. K., Casewit, C. J., Colwell, K. S., Goddard, W. A., III, Skiff, W. M. (1992). UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. Journal of the American Chemical Society, 114(25), 10024-10035.
  • Ray, R. B., Raychoudhuri, A., Steele, R., Nerurkar, P. (2010). Bitter melon (Momordica charantia) extract ınhibits breast cancer cell proliferation by modulating cell cycle regulatory genes and promotes apoptosis. Cancer Research, 70(5), 1925-1931.
  • Santos, K. B., Guedes, I. A., Karl, A. L. M., Dardenne, L. E. (2020). Highly flexible ligand docking: benchmarking of the dockthor program on the LEADS-PEP protein-peptide data set. Journal of Chemical Information and Modeling, 60(2), 667-683.
  • Schlam, I., Swain, S. M. (2021). HER2-positive breast cancer and tyrosine kinase inhibitors: the time is now. Npj Breast Cancer, 7(1), 56.
  • Schöning-Stierand, K., Diedrich, K., Fahrrolfes, R., Flachsenberg, F., Meyder, A., Nittinger, E., Steinegger, R., Rarey, M. (2020). ProteinsPlus: interactive analysis of protein-ligand binding interfaces. Nucleic Acids Research, 48(W1), W48-W53.
  • Shi, F., Telesco, S. E., Liu, Y., Radhakrishnan, R., Lemmon, M. A. (2010). ErbB3/HER3 intracellular domain is competent to bind ATP and catalyze autophosphorylation. Proceedings of the National Academy of Sciences, 107(17), 7692-7697.
  • Shim, S. H., Sur, S., Steele, R., Albert, C. J., Huang, C., Ford, D. A., Ray, R. B. (2018). Disrupting cholesterol esterification by bitter melon suppresses triple-negative breast cancer cell growth. Molecular Carcinogenesis, 57(11), 1599-1607.
  • Smolarz, B., Nowak, A. Z., Romanowicz, H. (2022). Breast cancer—epidemiology, classification, pathogenesis and treatment (review of literature). Cancers, 14(10), 2569.
  • Stamos, J., Sliwkowski, M. X., Eigenbrot, C. (2002). Structure of the epidermal growth factor receptor kinase domain alone and in complex with a 4-anilinoquinazoline inhibitor. Journal of Biological Chemistry, 277(48), 46265-46272.
  • Stierand, K., Rarey, M. (2010). Drawing the PDB: protein-ligand complexes in two dimensions. ACS Medicinal Chemistry Letters, 1(9), 540-545.
  • Sur, S., Ray, R. B. (2020). Bitter melon (Momordica Charantia), a nutraceutical approach for cancer prevention and therapy. Cancers, 12(8), 2064.
  • Swaminathan, H., Saravanamurali, K., Yadav, S. A. (2023). Extensive review on breast cancer its etiology, progression, prognostic markers, and treatment. Medical Oncology, 40(8), 238.
  • Tong, C. W. S., Wu, M., Cho, W. C. S., To, K. K. W. (2018). Recent advances in the treatment of breast cancer. Frontiers in Oncology, 8, 227.
  • Wang, X.-J., Zhou, R.-J., Zhang, N., Jing, Z. (2019). 20(S)-ginsenoside Rg3 sensitizes human non-small cell lung cancer cells to icotinib through inhibition of autophagy. European Journal of Pharmacology, 850, 141-149.
  • Wright, R. H. G., Beato, M. (2021). Role of the NUDT enzymes in breast cancer. International Journal of Molecular Sciences, 22(5), 2267.
  • Xiong, G., Wu, Z., Yi, J., Fu, L., Yang, Z., Hsieh, C., Yin, M., Zeng, X., Wu, C., Lu, A., Chen, X., Hou, T., Cao, D. (2021). ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties. Nucleic Acids Research, 49(W1), W5-W14.
  • Zhang, Y., Guan, J., Cui, J., Zhao, Y. (2010). Quantitative analysis of aglycone of momordicoside L from Momordica charantia in different areas by HPLC. Zhongguo Zhong yao za zhi= Zhongguo Zhongyao Zazhi= China Journal of Chinese Materia Medica, 35(5), 620-622.
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Details

Primary Language English
Subjects Maritime Engineering (Other)
Journal Section Research Articles
Authors

Onur Ertik 0000-0001-5437-3513

Publication Date December 25, 2024
Submission Date October 24, 2024
Acceptance Date December 11, 2024
Published in Issue Year 2024 Volume: 11 Issue: 4

Cite

APA Ertik, O. (2024). Momordica charantia (Bitter Melon) Fruit Bioactive Compounds and Potential Inhibitory Effects of Breast Cancer-Related Enzymes: In silico Approaches. International Journal of Environment and Geoinformatics, 11(4), 78-88.