In silico Prediction of the Interaction between Phytochemicals in Local Plants and Crucial Proteins of Helicobacter pylori

Authors

  • Miti Jearaphunt Program in Biology, Faculty of Science and Technology, Suratthani Rajabhat University.
  • Sakchai Kanmarangkool Program in Biology, Faculty of Science and Technology, Suratthani Rajabhat University

Keywords:

Helicobacter pylori, phytochemical, molecular docking

Abstract

Helicobacter pylori is a bacterium responsible for several diseases from infection in the stomach to stomach cancer. The treatment for the infection is to use antibiotics, but some antibiotic-resistant strains are found. Therefore, the information of compounds for the new antibiotic candidates against those bacterial strains is crucial. The current study aimed to screen the plausible candidates from phytochemicals found in local plants that could bind to H. pylori proteins: GyrA and PBP2 This was implemented by using protein–ligand docking technique. The results showed that out of 24 phytochemicals tested, quercetin and panduratin A were the topmost favorable ligands. Thus, these ligands have potential for drug development.

Author Biographies

Miti Jearaphunt, Program in Biology, Faculty of Science and Technology, Suratthani Rajabhat University.

Program in Biology, Faculty of Science and Technology, Suratthani Rajabhat University, Surat Thani 84100, Thailand.

Sakchai Kanmarangkool, Program in Biology, Faculty of Science and Technology, Suratthani Rajabhat University

Program in Biology, Faculty of Science and Technology, Suratthani Rajabhat University, Surat Thani 84100, Thailand.

References

Abou Assi, R., Darwis, Y., Abdulbaqi, I.M., khan, A.A., Vuanghao, L. and Laghari, M.H. 2017. Morinda citrifolia (Noni): A Comprehensive Review on Its Industrial Uses, Pharmacological Activities, and Clinical Trials. Arabian Journal of Chemistry 10(5): 691-707.

Baker, D.A. 2020. Plants against Helicobacter pylori to Combat Resistance: An Ethnopharmacological Review. Biotechnology Reports 26: e00470.

Bhamarapravati, S., Juthapruth, S., Mahachai, W. and Mahady, G. 2006. Antibacterial Activity of Boesenbergia rotunda (L.) Mansf. and Myristica fragrans Houtt. against Helicobacter pylori. Songklanakarin Journal of Science and Technology 28(Suppl.1): 157-63.

Bienert, S., Waterhouse, A., De Beer, T.A.P., Tauriello, G., Studer, G., Bordoli, L. and Schwede, T. 2017. The SWISS-MODEL Repository-New Features and Functionality. Nucleic Acids Research 45(D1): D313-19.

Brügger, B.P., Martínez, L.C., Plata-Rueda, A., Castro, B.M. de C.e., Soares, M.A., Wilcken, C.F., Carvalho, A. G., Serrão, J.E. and Zanuncio, J.C. 2019. Bioactivity of the Cymbopogon citratus (Poaceae) Essential Oil and Its Terpenoid Constituents on the Predatory Bug, Podisus nigrispinus (Heteroptera: Pentatomidae). Scientific Reports 9(1): 1-8.

Chaturvedi, P., Raina, V., Solanki, P.S. and Saxena, V.L. 2019. In Silico Prediction of Anti-Plasmodial Activity of Spices: Targeting Malarial Proteases. Journal of Clinical and Diagnostic Research 13(8): KC01- KC06.

Chu, A., Wang, D., Guo, Q., Lv, Z., Yuan, Y. and Gong, Y. 2020. Molecular Detection of H. pylori Antibiotic-resistant Genes and Molecular Docking Analysis. The FASEB Journal 34(1): 610-18.

Contreras-Martel, C., Martins, A., Ecobichon, C., Trindade, D.M., Matteï, P.J., Hicham, S., Hardouin, P., Ghachi, M. El, Boneca, I.G. and Dessen, A. 2017. Molecular Architecture of the PBP2-MreC Core Bacterial Cell Wall Synthesis Complex. Nature Communications 8(776): doi: 10.1038/s41467-017-00783-2.

de Lima, R.M.T., dos Reis, A.C., de Menezes, A.A.P.M., Santos, J.V. de O., Filho, J.W.G.d.O., Ferreira, J.R.d.O., de Alencar, M.V.O.B., da Mata, A.M.O.F., Khan, I.N., Islam, A., Uddin, S.J., Ali, E.S., Islam, M.T., Tripathi, S., Mishra, S.K., Mubarak, M.S. and Melo-Cavalcante, A.A.d.C. 2018. Protective and Therapeutic Potential of Ginger (Zingiber Officinale) Extract and [6]-Gingerol in Cancer: A Comprehensive Review. Phytotherapy Research 32(10): 1885-1907.

Eng-Chong, T., Yean-Kee, L., Chin-Fei, C., Choon-Han, H., Sher-Ming, W., Li-Ping, C.T., Gen-Teck, F., Khalid, N., Abd Rahman, N., Karsani, S.A., Othman, S., Othman, R. and Yusof, R. 2012. Boesenbergia rotunda: From Ethnomedicine to Drug Discovery. Evidence-Based Complementary and Alternative Medicine 2012: doi: 10.1155/2012/473637.

González, A., Salillas, S., Velázquez-Campoy, A., Espinosa Angarica, V., Fillat, M.F., Sancho, J. and Lanas, Á. 2019. Identifying Potential Novel Drugs against Helicobacter pylori by Targeting the Essential Response Regulator HsrA. Scientific Reports 9(1): 1-13.

Kanjanasirirat, P., Suksatu, A., Manopwisedjaroen, S., Munyoo, B., Tuchinda, P., Jearawuttanakul, K., Seemakhan, S., Charoensutthivarakul, S., Wongtrakoongate, P., Rangkasenee, N., Pitiporn, S., Waranuch, N., Chabang, N., Khemawoot, P., Sa-ngiamsuntorn, K., Pewkliang, Y., Thongsri, P., Chutipongtanate, S., Hongeng, S., Borwornpinyo, S. and Thitithanyanont, A. 2020. High-Content Screening of Thai Medicinal Plants Reveals Boesenbergia Rotunda Extract and Its Component Panduratin A as Anti-SARS-CoV-2 Agents. Scientific Reports 10(1): 1-12.

Li, R. and Jiang, Z.T. 2004. Chemical Composition of the Essential Oil of Cuminum cyminum L. from China. Flavour and Fragrance Journal 19(4): 311-313.

Li, Y., Yao, J., Han, C., Yang, J., Chaudhry, M.T., Wang, S., Liu, H. and Yin, Y. 2016. Quercetin, Inflammation and Immunity. Nutrients 8(3): doi: 10.3390/nu8030167.

Liu, Y., Grimm, M., Dai, W.t., Hou, M. chun, Xiao, Z.X. and Cao, Y. 2020. CB-Dock: A Web Server for Cavity Detection-Guided Protein

-Ligand Blind Docking. Acta Pharmacologica Sinica 41(1): 138-144.

Mandal, S. and Mandal, M. 2015. Coriander (Coriandrum sativum L.) Essential Oil: Chemistry and Biological Activity. Asian Pacific Journal of Tropical Biomedicine 5(6): 421-428.

Meghwal, M. and Goswami, T.K. 2013. Piper nigrum and Piperine: An Update. Phytotherapy Research 27(8): 1121-1130.

Mégraud, F. and Lehours, P. 2007. Helicobacter pylori Detection and Antimicrobial Susceptibility Testing. Clinical Microbiology Reviews 20(2): 280-322.

Nair, B. 2007. Final Report on the Safety Assessment of Capsicum annuum Extract, Capsicum annuum Fruit Extract, Capsicum annuum Resin, Capsicum annuum Fruit Powder, Capsicum frutescens Fruit, Capsicum frutescens Fruit Extract, Capsicum frutescens Resin, and Capsaicin. International Journal of Toxicology 26(SUPPL. 1): 3-106.

Pan, Y., Zheng, Y.M. and Ho, W.S. 2018. Effect of Quercetin Glucosides from Allium Extracts on HepG2, PC-3 AND HT-29 Cancer Cell Lines. Oncology Letters 15(4): 4657-4661.

Plaper, A., Golob, M., Hafner, I., Oblak, M., Šolmajer, T. and Jerala, R. 2003. Characterization of Quercetin Binding Site on DNA Gyrase. Biochemical and Biophysical Research Communications 306(2): 530-36.

Purkayastha, J. and Nath, S.C. 2006. Composition of the Camphor-Rich Essential Oil of Ocimum basilicum l. Native to Northeast India. Journal of Essential Oil Research 18(3): 332-334.

Ragasa, C.Y., Guardamano, J.D., Tan, M.C.S. and Shen, C.C. 2016. Chemical Constituents of Brassica rapa Chinensis L. and Brassica rapa Var. Parachinensis (Baily) Hanelt. International Journal of Current Pharmaceutical Review and Research 7(5): 316-318.

Rivera, M.L.C., Hassimotto, N.M.A., Bueris, V., Sircili, M.P., Almeida, F.A. and Pinto, U.M. 2019. Effect of Capsicum frutescens Extract, Capsaicin, and Luteolin on Quorum Sensing Regulated Phenotypes. Journal of Food Science 84(6): 1477-1486.

Rosdianto, A.M., Puspitasari, I.M., Lesmana, R. and Levita, J. 2020. Bioactive Compounds of Boesenbergia sp. and Their Anti-Inflammatory Mechanism: A Review. Journal of Applied Pharmaceutical Science 10(7): 116-126.

Rose, A.S., Bradley, A.R., Valasatava, Y., Duarte, J.M., Prlić, A. and Rose, P.W. 2018. NGL Viewer: Web-Based Molecular Graphics for Large Complexes. Bioinformatics 34(21): 3755-3758.

Rukayadi, Y., Lee, K., Han, S., Yong, D. and Hwang, J.K. 2009. In Vitro Activities of Panduratin A against Clinical Staphylococcus Strains. Antimicrobial Agents and Chemotherapy 53(10): 4529-4532.

Siriamornpun, S., Sriket, C. and Sriket, P. 2014. Phytochemicals of Thai Local Edible Herbs. International Food Research Journal 21(3): 1045-1052.

Tahir ul Qamar, M., Alqahtani, S.M., Alamri, M. and Chen, L.L. 2020. Structural Basis of SARS-CoV-2 3CLpro and Anti-COVID-19 Drug Discovery from Medicinal Plants. Journal of Pharmaceutical Analysis 10(4): 313-319.

Trespalacios-Rangél, A.A., Otero, W., Arévalo-Galvis, A., Poutou-Piñales, R.A., Rimbara, E. and Graham, D.Y. 2016. Surveillance of Levofloxacin Resistance in Helicobacter pylori Isolates in Bogotá-Colombia (2009-2014) edited by M. Galdiero. PLOS ONE 11(7): e0160007.

Tsay, F.W. and Hsu, P.I. 2018. H. pylori Infection and Extra-Gastroduodenal Diseases. Journal of Biomedical Science 25(1): 65.

Waterhouse, A., Bertoni, M., Bienert, S., Studer, G., Tauriello, G., Gumienny, R., Heer, F.T., de Beer, T.A.P., Rempfer, C., Bordoli, L., Lepore, R. and Schwede, T. 2018. SWISS-MODEL: Homology Modelling of Protein Structures and Complexes. Nucleic Acids Research 46(W1): W296-W303.

Wu, Y., Wang, Y., Li, Z.H., Wang, C.F., Wei, J.Y., Li, X.L., Wang, P.J., Zhou, Z.F., Du, S.S., Huang, D.Y. and Deng, Z.W. 2014. Composition of the Essential Oil from Alpinia galanga Rhizomes and Its Bioactivity on Lasioderma serricorne. Bulletin of Insectology 67(2): 247-254.

Published

2023-04-29

How to Cite

Jearaphunt, M., & Kanmarangkool, S. (2023). In silico Prediction of the Interaction between Phytochemicals in Local Plants and Crucial Proteins of Helicobacter pylori. Recent Science and Technology, 15(1), 24–36. Retrieved from https://li01.tci-thaijo.org/index.php/rmutsvrj/article/view/251302

Issue

Section

Research Article