In vitro and in silico evaluation of antibacterial activities of different solvent extracts made from Sisymbrium irio L. seeds
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Abstract
Sisymbrium irio Linn is one of the underutilized plants, well-known for its traditional importance in Unani Medicine. The present study aimed to evaluate the antibacterial activities of different polarity-based extracts made from seeds of S.irio (Indian variety).The antibacterial activity of 13 different solvent extracts of S.irio seeds was evaluated by the Agar well-diffusion method. Among 13 different solvent seed extracts, ethanolic extract inhibited the growth of all the three bacterial strains used in the study. Further GC-MS analysis of ethanolic extract was done to reveal its phytochemical constituents. Twenty-five different compounds were identified through GC-MS analysis of ethanolic extract of S.irio seeds. Subsequently, for performing in silico antibacterial studies, the identified phytochemicals were first tested for their drug-likeability through Molinspiration software which yielded four compounds. In silico virtual screening via Autodock Vina was done using four phytochemicals against DNA gyrase subunit B and Dihydrofolate reductase. Out of four phytochemical studied through in silico analysis, “Benzene-1,2-dicarboxylicacid, monoamide, N-(1-cyano-1-methylethyl)” was found to inhibit DNA gyrase subunit B most effectively. The present study revealed that Sisymbrium irio displayed potential antibacterial activity and can be used as a good source for designing potent antibacterial agents.
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Keywords
Antibacterial, Autodock Vina, GC-MS, Molecular Docking, Sisymbrium irio
References
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Brady, G.P & Stouten, P.F. (2000). Fast prediction and visualization of protein binding pockets with PASS. Journal of Computer-Aided Molecular Design, 14(4), 383–401. DOI: 10.1023/a:1008124202956
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Shandukani, P.D., Tshidino, S.C., Masoko, P. & Moganedi, K.M. (2018). Antibacterial activity and in situ efficacy of Bidens pilosa Linn and Dichrostachys cinerea Wight et Arn extracts against common diarrhoea-causing waterborne bacteria. BMC complementary & alternative medicine, 18(1), 1-0. DOI: 10.1186/s12906-018-2230-9
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Taylor, J.L.S., T, Rabe. & L.J. McGraw. (2001). Towards the scientific validation of traditional medicinal plants. Plant Growth Regulation, 34 23-37. https://doi.org/10.1023/A:1013310809275
Tiwari, M. & Bhargava, P. (2021). Current updates on SISYMBRIUM IRIO LINN: A Traditional Medicinal plants. Plant Archives, 21(10), 411-419. https://doi.org/10.51470/PLANTARCHIVES.2021.v21.no1.05.
Tiwari, M., Gupta, S. & Bhargava, P. (2022). Virtual screening and molecular dynamics simulation studies to predict the binding of Sisymbrium irio L. derived phytochemicals against Staphylococcus aureus dihydrofolate reductase (DHFR). Journal of Applied and Natural Sciences, 14(4), 1297-307. https://doi.org/10.31018/jans.v14i4.3641
Trott, O. & Olson, A.J. (2010). Software news and update Autodock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Journal of Computational Chemistry. 31(2), 455–461. doi: 10.1002/jcc.21334
Velmurugan, G. & Anand, S.P. (2017). GC-MS Analysis of bioactive compounds on ethanolic leaf extract of Phyllodium pulchellum L. Desv. International Journal of Pharmacognosy and Pharmaceutical Research, 9(1), 114–118. DOI number: 10.25258/ijpapr.v9i1.8051
Vohora, S.B., Naqvi, S.A. & Kumar, I. (1980). Antipyretic, analgesic and antimicrobial studies on Sisymbriumirio. Planta Medica, 38(03), 255-9.
Yadav, R., Khare, R.K. & Singhal, A. (2017). Qualitative phytochemical screening of some selected medicinal plants of Shivpuri District (MP). International Journal of Life Sciences Research, 3, 844–847. DOI:10.21276/ijlssr.2016.3.1.16
Balandrin, M.F., Klocke, J.A., Wurtele, E.S & Bollinger, W.H. (1985). Natural plant chemicals: sources of industrial and medicinal materials. Science, 228(4704), 1154-1160.
Brady, G.P & Stouten, P.F. (2000). Fast prediction and visualization of protein binding pockets with PASS. Journal of Computer-Aided Molecular Design, 14(4), 383–401. DOI: 10.1023/a:1008124202956
Chassagne, F., Samarakoon, T., Porras, G., Lyles, J. T., Dettweiler, M., Marquez, L., ... & Quave, C. L. (2021). A systematic review of plants with antibacterial activities: A taxonomic and phylogenetic perspective. Frontiers in pharmacology, 11, 586548. https://doi.org/10.3389/fphar.2020.586548
Hailu, T., Gupta, R. K. & Rani, A. (2021). Phytochemicals and antioxidant activity of Sisymbrium irio L. seeds.
Haleem, A., Rauf, A., Latif, A., Siddiqui, N & Rehman, S. (2016). Standardization and Safety Profile of Seeds of Sisymbriumirio Linn (Khaksi). Journal of Medical Erudite, 4(1and2), 7-19.
Malongane, F., McGAW, L. J. & Mudau, F. N. (2017). The synergistic potential of various teas, herbs and therapeutic drugs in health improvement: a review. Journal of the Science of Food and Agriculture, 97(14), 4679-4689. doi: 10.1002/jsfa.8472. Epub 2017 Jul 27.
Khoshoo, T.N. (1966). Biosystematics of Sisymbriumirio Complex XII: Distributional Pattern. Caryologia, 19(2), 143-150. https://doi.org/10.1080/00087114.1966.10796212
Laskowski, R.A. & Swindells, M.B. (2011). LigPlotþ: Multiple ligand-protein interaction diagrams for drug discovery. Journal of Chemical Information and Modelling, 51(10), 2778–2786. DOI: 10.1021/ci200227u
Lee, K. & Kim, D. (2019). In silico molecular binding prediction for human drug targets using deep neural multi-task learning. Genes, 10, 906. DOI: 10.3390/genes10110906
Liu, R.H. (2003). Health benefits of fruits and vegetables are from additive and synergistic combinations of phytochemicals. American Journal of Clinical Nutrition, 78, 517S-S520.
Mcewen, S.A. & Collignon, P.J. (2018). Antimicrobial resistance: a one health perspective Microbiolology Spectrum, 6. doi:10.1128/microbiolspec.ARBA-0009-2017.
Morris, G. M., Huey, R., Lindstrom, W., Sanner, M. F., Belew, R. K., Goodsell, D. S. & Olson, A. J. (2009). AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility. Journal of Computational Chemistry, 30(16), 2785-2791. DOI: 10.1002/jcc.21256
Naz, R. & Bano, A. (2013). Phytochemical screening, antioxidants and antimicrobial potential of Lantana camara in different solvents. Asian Pacific Journal of Tropical Disease, 3(6), 480-486. doi: 10.1016/S2222-1808(13)60104-8.
Nosrati, M. & Behbahani, M. (2020). In vitro and in silico antibacterial activity of PRANGOS¬ FERULACEA (L.) Lindl and PRANGOS ULOPTERA DC, and their mutagenicity in the Ames test. Journal of Microbiology, Biotechnology and Food Sciences, 9(4), 930-936. DOI:10.15414/jmbfs.2016/17.6.3.930-936
O'Boyle, N. M., Banck, M., James, C. A., Morley, C., Vandermeersch, T., & Hutchison, G. R. (2011). Open Babel: An open chemical toolbox. Journal of Cheminformatics, 3, 1-14. https://jcheminf.biomedcentral.com/articles/10.1186/1758-2946-3-33
Patel, V. & Patel, R. (2016). The active constituents of herbs and their plant chemistry, extraction and identification methods. Journal of Chemical and Pharmaceutical Research, 8(4), 1423-43.
Prakash, S., Ramasubburayan, R., Ramkumar, V. S., Kannapiran, E., Palavesam, A., & Immanuel, G. (2016). In vitro—Scientific evaluation on antimicrobial, antioxidant, cytotoxic properties and phytochemical constituents of traditional coastal medicinal plants. Biomedicine & Pharmacotherapy, 83, 648-657. DOI: 10.1016/j.biopha.2016.07.019.
Razack, S., Kumar, K.H., Nallamuthu, I., Naika, M. & Khanum, F. (2018). Antioxidant, biomolecule oxidation protective activities of Nardostachys jatamansi DC and its phytochemical anlaysis by RP-HPLC and GC-MS. Antioxidants, 4185–203. doi: 10.3390/antiox4010185.
Sahoo, N. & Manchikant, P. (2013). Herbal drug regulation and commercialization: An Indian industry perspective. Journal of Alternative and Complementary Medicine, 19, 957–963. doi: 10.1089/acm.2012.0275
Shabnam, B., Ziaur, R., Khalid, R. & Naveed, I. (2015). Biological screening of polarity-based extracts of leaves and seeds of Sisymbriumirio L. Pakistan Journal of Botany, 47, 301-305.
Shandukani, P.D., Tshidino, S.C., Masoko, P. & Moganedi, K.M. (2018). Antibacterial activity and in situ efficacy of Bidens pilosa Linn and Dichrostachys cinerea Wight et Arn extracts against common diarrhoea-causing waterborne bacteria. BMC complementary & alternative medicine, 18(1), 1-0. DOI: 10.1186/s12906-018-2230-9
Sliwoski, G., Kothiwale, S., Meiler, J. & Lowe, E.W. (2014). Computational methods in drug discovery, Pharmacological Reviews, 66(1), 334–395. doi: 10.1124/pr.112.007336
Taylor, J.L.S., T, Rabe. & L.J. McGraw. (2001). Towards the scientific validation of traditional medicinal plants. Plant Growth Regulation, 34 23-37. https://doi.org/10.1023/A:1013310809275
Tiwari, M. & Bhargava, P. (2021). Current updates on SISYMBRIUM IRIO LINN: A Traditional Medicinal plants. Plant Archives, 21(10), 411-419. https://doi.org/10.51470/PLANTARCHIVES.2021.v21.no1.05.
Tiwari, M., Gupta, S. & Bhargava, P. (2022). Virtual screening and molecular dynamics simulation studies to predict the binding of Sisymbrium irio L. derived phytochemicals against Staphylococcus aureus dihydrofolate reductase (DHFR). Journal of Applied and Natural Sciences, 14(4), 1297-307. https://doi.org/10.31018/jans.v14i4.3641
Trott, O. & Olson, A.J. (2010). Software news and update Autodock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Journal of Computational Chemistry. 31(2), 455–461. doi: 10.1002/jcc.21334
Velmurugan, G. & Anand, S.P. (2017). GC-MS Analysis of bioactive compounds on ethanolic leaf extract of Phyllodium pulchellum L. Desv. International Journal of Pharmacognosy and Pharmaceutical Research, 9(1), 114–118. DOI number: 10.25258/ijpapr.v9i1.8051
Vohora, S.B., Naqvi, S.A. & Kumar, I. (1980). Antipyretic, analgesic and antimicrobial studies on Sisymbriumirio. Planta Medica, 38(03), 255-9.
Yadav, R., Khare, R.K. & Singhal, A. (2017). Qualitative phytochemical screening of some selected medicinal plants of Shivpuri District (MP). International Journal of Life Sciences Research, 3, 844–847. DOI:10.21276/ijlssr.2016.3.1.16
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In vitro and in silico evaluation of antibacterial activities of different solvent extracts made from Sisymbrium irio L. seeds. (2024). Journal of Applied and Natural Science, 16(3), 1344-1353. https://doi.org/10.31018/jans.v16i3.5802
