Deciphering the Mechanism of Action Cosmos caudatus Compounds Against Breast Neoplasm: A Combination of pharmacological Networking and Molecular Docking Approach with Bibliometric Analysis
Keywords:
Bioinformatics, Breast cancer, Breast neoplasm, Drug-likeness, Pharmacological mechanism, Signaling pathwayAbstract
Cosmos caudatus is a widely used traditional medicinal plant in Indonesia for cancer treatment. However, the mechanism of action of plants in treating breast neoplasms remains unclear. Thus, the active ingredients of C. caudatus and possible molecular pathways against breast neoplasms were investigated using pharmacological networks. The active compounds were screened using Lipinski and ADME parameters. Targets for the compounds were obtained using SwissTargetPrediction. Target diseases were identified using the Therapeutic Target Database, whereas disease pathways were analyzed using the Kyoto Encyclopedia of Genes and Genomes. Network pharmacology was constructed using Cytoscape. Protein-protein interactions were constructed using STRING. Gene ontology and KEGG were analyzed using DAVID. Molecular docking confirmed that the compounds and targets exhibited the best interactions. The compounds, targets, and pathways with the highest degrees in the breast neoplasm network were eriodictyol, ABCC1, and signal transduction, respectively. EGFR is the key target of PPIs. GO enrichment in BP, MF, CC, and KEGG regulated NF-KB transcription factor activity, chromatin, transcription coactivator binding, and pathways in cancer, respectively. Molecular docking with the best score on interaction 5-O-methylvisammioside-SLC2A1 (PDB ID: 6THA) (– 10.3 kcal mol–1). The compound 5-O-methylvisammioside may have pharmacological activity in breast cancer through signal transduction pathways.
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Afendi, F. M., Okada, T., Yamazaki, M., Hirai-Morita, A., Nakamura, Y., Nakamura, K., Ikeda, S., Takahashi, H., Altaf-Ul-Amin, Md., Darusman, L. K., Saito, K., and Kanaya, S. (2012). Plant and Cell Physiology, 53(2), e1.
Ahda, M., Jaswir, I., Khatib, A., Ahmed, Q. U., and Syed Mohamad, S. N. A. (2023). International Journal of Food Properties, 26(1), 344–358.
Al Husaeni, D. F., and Nandiyanto, A. B. D. (2022). ASEAN Journal of Science and Engineering, 2(1), 19–46.
Alqahtani, M. S., Kazi, M., Alsenaidy, M. A., and Ahmad, M. Z. (2021). Frontiers in Pharmacology, 12, 618411.
Burley, S. K., Berman, H. M., Kleywegt, G. J., Markley, J. L., Nakamura, H., and Velankar, S. (2017). Methods in Molecular Biology, 1607, 627–641.
Cao, M., Zhan, M., Jing, H., Wang, Z., Wang, Y., Li, X., and Miao, M. (2024). Heliyon, 10(1), e22971.
Cha, Y. J., Kim, E.-S., and Koo, J. S. (2018). International Journal of Molecular Sciences, 19(3), 907.
Chang, H.-F., and Yang, L.-L. (2012). Molecules, 17(7), 8010–8021.
Chen, D., Oezguen, N., Urvil, P., Ferguson, C., Dann, S. M., and Savidge, T. C. (2016). Science Advances, 2(3), e1501240.
Chen, T., Lei, Y., Li, M., Liu, X., Zhang, L., Cai, F., Gong, X., and Zhang, R. (2024). Hereditas, 161(1), 2.
Chen, X., Ji, Z. L., and Chen, Y. Z. (2002). Nucleic Acids Research, 30(1), 412–415.
Cheng, S.-H., Barakatun-Nisak, M. Y., Anthony, J., and Ismail, A. (2015). Journal of Research in Medical Sciences: The Official Journal of Isfahan University of Medical Sciences, 20(10), 1000–1006.
Chou, C.-H., Wang, H.-K., Lin, Y.-C., Tsai, D.-H., Lu, M.-T., Ho, C.-T., Hseu, Y.-C., Yang, H.-L., and Way, T.-D. (2021). Journal of Agricultural and Food Chemistry, 69(48), 14557–14567.
Concetti, J., and Wilson, C. L. (2018). Cells, 7(9), 133.
Daina, A., Michielin, O., and Zoete, V. (2019). Nucleic Acids Research, 47(W1), W357–W364.
Davis, A. P., Wiegers, T. C., Johnson, R. J., Sciaky, D., Wiegers, J., and Mattingly, C. J. (2023). Nucleic Acids Research, 51(D1), D1257–D1262.
Demir, G., Chatterjee, P., and Pamucar, D. (2024). Expert Systems with Applications, 237, 121660.
Deng, Z., Hassan, S., Rafiq, M., Li, H., He, Y., Cai, Y., Kang, X., Liu, Z., and Yan, T. (2020). Evidence-Based Complementary and Alternative Medicine, 2020, e6681352.
Ellili, N. O. D. (2024). Environment, Development and Sustainability, 26(4), 8183–8209.
Espinoza-Sánchez, N. A., Győrffy, B., Fuentes-Pananá, E. M., and Götte, M. (2019). Journal of Cancer, 10(21), 5191–5211.
Firdaus, M. D., Artanti, N., Hanafi, M., and Rosmalena, R. (2021). Pharmacognosy Journal, 13(4), 890–895.
Goodsell, D. S., Zardecki, C., Di Costanzo, L., Duarte, J. M., Hudson, B. P., Persikova, I., Segura, J., Shao, C., Voigt, M., Westbrook, J. D., Young, J. Y., and Burley, S. K. (2020). Protein Science: A Publication of the Protein Society, 29(1), 52–65.
He, J., Fortunati, E., Liu, D.-X., and Li, Y. (2021). International Journal of Molecular Sciences, 22(6), 3199.
Herlina, H., Amriani, A., Sari, I. P., and Apriani, E. F. (2021). Journal of Advanced Pharmaceutical Technology and Research, 12(2), 157–161.
Hermawan, A., Satria, D., Hasibuan, P. A. Z., Huda, F., Tafrihan, A. S., Fatimah, N., and Putri, D. D. P. (2024). South African Journal of Botany, 164, 401–418.
Hu, S., Huang, L., Meng, L., Sun, H., Zhang, W., and Xu, Y. (2015). Molecular Medicine Reports, 12(5), 6745–6751.
Huang, C., Lu, H.-F., Chen, Y.-H., Chen, J.-C., Chou, W.-H., and Huang, H.-C. (2020). BMC Complementary Medicine and Therapies, 20(1), 68.
Huang, J., Xu, Z., Li, J., He, X., Huang, X., Shen, X., and Luo, Z. (2024). Arabian Journal of Chemistry, 17(1), 105428.
Husain, S. S., Kadhim, M. Q., Al-Obaidi, A. S. M., Hasan, A. F., Humaidi, A. J., and Husaeni, D. N. A. (2023). Indonesian Journal of Science and Technology, 8(2), 197–216.
Islam, A., Islam, M. S., Rahman, M. K., Uddin, M. N., and Akanda, M. R. (2020). Archives of Pharmacal Research, 43(6), 582–592.
Itoh, Y., Nakashima, Y., Tsukamoto, S., Kurohara, T., Suzuki, M., Sakae, Y., Oda, M., Okamoto, Y., and Suzuki, T. (2019). Scientific Reports, 9(1), 767.
Jin, Q., Feng, J., Yan, Y., and Kuang, Y. (2024). Scientific Reports, 14(1), 483.
Kanehisa, M., and Goto, S. (2000). Nucleic Acids Research, 28(1), 27–30.
Kim, J., Kim, J., and Park, M. (2024). Current Opinion in Systems Biology, 37, 100504.
Kim, J.-Y., Jung, H. H., Ahn, S., Bae, S., Lee, S. K., Kim, S. W., Lee, J. E., Nam, S. J., Ahn, J. S., Im, Y.-H., and Park, Y. H. (2016). Scientific Reports, 6(1), 31804.
Kim, S., Chen, J., Cheng, T., Gindulyte, A., He, J., He, S., Li, Q., Shoemaker, B. A., Thiessen, P. A., Yu, B., Zaslavsky, L., Zhang, J., and Bolton, E. E. (2021). Nucleic Acids Research, 49(D1), D1388–D1395.
Kim, S., Thiessen, P. A., Bolton, E. E., Chen, J., Fu, G., Gindulyte, A., Han, L., He, J., He, S., Shoemaker, B. A., Wang, J., Yu, B., Zhang, J., and Bryant, S. H. (2016). Nucleic Acids Research, 44(D1), D1202–D1213.
Kunická, T., and Souček, P. (2014).
Kwon, Y.-J., Kwon, T.-U., Shin, S., Lee, B., Lee, H., Park, H., Kim, D., Moon, A., and Chun, Y.-J. (2024). Biochimica et Biophysica Acta (BBA) - Molecular Basis of Disease, 1870(1), 166868.
Lee, T. K., and Vairappan, C. S. (2011). Medicinal Plants Research, 5(21), 5284–5290.
Li, C., Yang, D., Zhao, Y., Qiu, Y., Cao, X., Yu, Y., Guo, H., Gu, X., and Yin, X. (2015). Nutrition and Cancer, 67(7), 1191–1200.
Lim, W. M., and Kumar, S. (2024). Global Business and Organizational Excellence, 43(2), 17–26.
Loo, Y. C., Hu, H.-C., Yu, S.-Y., Tsai, Y.-H., Korinek, M., Wu, Y.-C., Chang, F.-R., and Chen, Y.-J. (2023). Phytomedicine, 110, 154643.
Lou, J., Duan, H., Qin, Q., Teng, Z., Gan, F., Zhou, X., and Zhou, X. (2023). Pharmaceutics, 15(2), 484.
Maennling, A. E., Tur, M. K., Niebert, M., Klockenbring, T., Zeppernick, F., Gattenlöhner, S., Meinhold-Heerlein, I., and Hussain, A. F. (2019). Cancers, 11(12), 1826.
Martino, E., D’Onofrio, N., Balestrieri, A., Colloca, A., Anastasio, C., Sardu, C., Marfella, R., Campanile, G., and Balestrieri, M. L. (2024). Nutrients, 16(1), 160.
Mei, C., Zhang, X., Zhi, Y., Liang, Z., Xu, H., Liu, Z., Liu, Y., Lyu, Y., and Wang, H. (2024). International Journal of Molecular Sciences, 25(1), 670.
Muñoz-Leiva, F., Viedma-del-Jesús, M. I., Sánchez-Fernández, J., and López-Herrera, A. G. (2012). Quality and Quantity, 46(4), 1077–1095.
Nedeljković, M., Tanić, N., Prvanović, M., Milovanović, Z., and Tanić, N. (2021). Friend or foe: ABCG2, ABCC1 and ABCB1 expression in triple-negative breast cancer. Breast Cancer, 28(3), 727–736.
Nickel, J., Gohlke, B.-O., Erehman, J., Banerjee, P., Rong, W. W., Goede, A., Dunkel, M., and Preissner, R. (2014). Nucleic Acids Research, 42(W1), W26–W31.
Olowosoke, C. B., Eze, C. J., Munir, A., Dada, O. O., Omolabake, K. E., Oke, G. A., Mounadi, N., Chtita, S., and Ibisanmi, T. A. (2024). Chemical Physics Impact, 8, 100412.
Pires, B. R. B., Mencalha, A. L., Ferreira, G. M., Souza, W. F. de, Morgado-Díaz, J. A., Maia, A. M., Corrêa, S., and Abdelhay, E. S. F. W. (2017). PLoS ONE, 12(1), e0169622.
Rafi, M., Hayati, F., Umar, A. H., Septaningsih, D. A., and Rachmatiah, T. (2023). Arabian Journal of Chemistry, 16(9), 105065.
Rahman, H. A., Sahib, N. G., Saari, N., Abas, F., Ismail, A., Mumtaz, M. W., and Hamid, A. A. (2017). BMC Complementary and Alternative Medicine, 17(1), 122.
Ren, Y., Wu, H., Tan, M., Chen, J., Duan, Z., Zhu, B., Ruan, X., Yu, Q., Li, S., Liu, X., Liu, Y., and Si, Y. (2024). Phytomedicine, 122, 155152.
Ru, J., Li, P., Wang, J., Zhou, W., Li, B., Huang, C., Li, P., Guo, Z., Tao, W., Yang, Y., Xu, X., Li, Y., Wang, Y., and Yang, L. (2014). Journal of Cheminformatics, 6(1), 13.
Sahidin, I., Nohong, N., Manggau, M. A., Arfan, A., Wahyuni, W., Meylani, I., Malaka, M. H., Rahmatika, N. S., Yodha, A. W. M., Masrika, N. U. E., Kamaluddin, A., Sundowo, A., Fajriah, S., Asasutjarit, R., Fristiohady, A., Maryanti, R., Rahayu, N. I., and Muktiarni, M. (2023). Indonesian Journal of Science and Technology, 8(2), 217–242.
Sarmoko, S., Novitasari, D., Toriyama, M., Fareza, M. S., Choironi, N. A., Itoh, H., and Meiyanto, E. (2023). Iranian Journal of Pharmaceutical Research, 22(1), e138856.
Seyedreihani, S. F., Tan, T.-C., Alkarkhi, A. F. M., and Easa, A. M. (2017). International Journal of Food Properties, 20(2), 260–270.
Shannon, P., Markiel, A., Ozier, O., Baliga, N. S., Wang, J. T., Ramage, D., Amin, N., Schwikowski, B., and Ideker, T. (2003). Genome Research, 13(11), 2498–2504.
Sharifuldin, M. M. A., Ismail, Z., Aisha, A. F. A., Seow, E. K., and Beh, H. K. (2016). Quality Assurance and Safety of Crops and Foods, 8(4), 617–622.
Sherman, B. T., Hao, M., Qiu, J., Jiao, X., Baseler, M. W., Lane, H. C., Imamichi, T., and Chang, W. (2022). Nucleic Acids Research, 50(W1), W216–W221.
Shirvanian, K., Vali, R., Farkhondeh, T., Abderam, A., Aschner, M., and Samarghandian, S. (2024). Current Molecular Medicine, 24(1), 40–50.
Shui, G., Leong, L. P., and Wong, S. P. (2005). Journal of Chromatography B, 827(1), 127–138.
Solihah, P. A., Kaniawati, I., Samsudin, A., and Riandi, R. (2024). Indonesian Journal of Science and Technology, 9(1), 163–190.
Sun, F., Liu, J., Xu, J., Tariq, A., Wu, Y., and Li, L. (2024). Arabian Journal of Chemistry, 17(1), 105390.
Syahruni, R., Umar, A. H., Rahman, H. N., and Kusuma, W. A. (2023). Sains Malaysiana, 52(3), 899–939.
Szklarczyk, D., Gable, A. L., Lyon, D., Junge, A., Wyder, S., Huerta-Cepas, J., Simonovic, M., Doncheva, N. T., Morris, J. H., Bork, P., Jensen, L. J., and Mering, C. von. (2019). Nucleic Acids Research, 47(D1), D607–D613.
Tabti, K., Sbai, A., Maghat, H., Lakhlifi, T., and Bouachrine, M. (2024). Arabian Journal of Chemistry, 17(1), 105376.
Tao, L., Zhou, Y., Luo, Y., Qiu, J., Xiao, Y., Zou, J., Zhang, Y., Liu, X., Yang, X., Gou, K., Xu, J., Guan, X., Cen, X., and Zhao, Y. (2024). MedComm – Oncology, 3(1), e59.
Tluli, O., Al-Maadhadi, M., Al-Khulaifi, A. A., Akomolafe, A. F., Al-Kuwari, S. Y., Al-Khayarin, R., Maccalli, C., and Pedersen, S. (2023). Cancers, 15(17), 4213.
Umar, A. H., Ratnadewi, D., Rafi, M., Sulistyaningsih, Y. C., Hamim, H., and Kusuma, W. A. (2023). Journal of Biomolecular Structure and Dynamics, 41(17), 8544–8560.
Wang, P., Zhou, R., Zhou, R., Feng, S., Zhao, L., Li, W., Lin, J., Rajapakse, A., Lee, C.-H., Furnari, F. B., Burgess, A. W., Gunter, J. H., Liu, G., Ostrikov, K. (Ken), Richard, D. J., Simpson, F., Dai, X., and Thompson, E. W. (2024). Redox Biology, 69, 102976.
Wang, X., Chen, J., Tie, H., Tian, W., Zhao, Y., Qin, L., Guo, S., Li, Q., and Bao, C. (2023). Journal of Biochemical and Molecular Toxicology, 37(7), e23368.
Wellberg, E. A., Johnson, S., Finlay-Schultz, J., Lewis, A. S., Terrell, K. L., Sartorius, C. A., Abel, E. D., Muller, W. J., and Anderson, S. M. (2016). Breast Cancer Research, 18(1), 131.
Widiyantoro, A., and Harlia, H. (2021). Indonesian Journal of Pure and Applied Chemistry, 3(1), 9–20.
Wu, Q., Kroon, P. A., Shao, H., Needs, P. W., and Yang, X. (2018). Journal of Agricultural and Food Chemistry, 66(27), 7181–7189.
Xue, W., Yu, Y., Yao, Y., Zhou, L., Huang, Y., Wang, Y., Chen, Z., Wang, L., Li, X., Wang, X., Du, R., Shen, Y., and Xu, Q. (2024). Redox Biology, 70, 103034.
Yan, S., Wang, Y., Chen, M., Li, G., and Fan, J. (2015). International Journal of Molecular Sciences, 16(7), 16144–16157.
Yin Bok, C., Jun Low, E. K., Augundhooa, D., Ariffin, H., Bin Mok, Y., Qing Lim, K., Le Chew, S., Salvamani, S., Er Loh, K., Loke, C. F., Gunasekaran, B., and Tan, S.-A. (2023). Pertanika Journal of Tropical Agricultural Science, 46(1), 213–241.
Yusoff, N. A. H., Rukayadi, Y., Abas, F., Khatib, A., and Hassan, M. (2021). Food Research, 5(3), 83–91.
Zheng, Z., Zeng, X., Zhu, Y., Leng, M., Zhang, Z., Wang, Q., Liu, X., Zeng, S., Xiao, Y., Hu, C., Pang, S., Wang, T., Xu, B., Peng, P., Li, F., and Tan, W. (2024). Molecular Cancer, 23(1), 4.
Zhu, X., Li, J., Ning, H., Yuan, Z., Zhong, Y., Wu, S., and Zeng, J.-Z. (2021). Frontiers in Pharmacology, 12, 739658.
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