Student or educator? Sign up with your school email and get 6 months of Pro free.
CoChat
Sign Up
Cited by 50

The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.

Molecular docking assisted biological functions and phytochemical screening of Amaranthus lividus L. extract

Durhan, Burhan, Yalçın, Emine, Çavuşoğlu, Kültiğin, Acar, Ali·2022·Scientific Reports
DOI 10.1038/s41598-022-08421-8PMC PMC8918320
Open this paper in CoChat — free account

Abstract

In this study, the phytochemical content of Amaranthus lividus extract and its multi-biological activities were investigated. Total protein, phenol, flavonoid, saponin and condensed tannin contents were determined for phytochemical analysis. In addition, GC–MS and HPLC analyzes were carried out for the determination of the active components of the extract. In determining the multi-biological activities, radical scavenging, anti-mutagenic, anti-proliferative and anti-microbial activities of the extract were investigated. GC–MS analysis revealed that the leaf extract of A. lividus contains phytol and β-sitosterol as major compounds and the presence of gallic acid, caffeic acid, quercetin, vanillin and kaemferol compounds were determined with HPLC analysis. The radical scavenging effect of A. lividus extract was determined as 75.6% against 2,2-diphenyl-1-picrylhydrazyl and 85.2% against superoxide. In anti-bacterial studies, it was determined that A.lividus extract formed different inhibition zones against all tested bacteria. The highest inhibition zone was 14.3 ± 0.7 mm against Bacillus subtilis . In addition, the anti-microbial activity of the extract was demonstrated by molecular docking studies of the binding of gallic acid and phytol to aquaporin and arginase enzyme of bacteria, and the mechanism of anti-microbial activity was explained. A. lividus extract, which provided a 68.59–33.13% reduction in the formation of chromosomal aberrations such as unequal distribution of chromatin, micronucleus formation, fragment, sticky chromosome, bridge and vagrant chromosome, exhibited a strong anti-mutagenic effect. A. lividus extract has a reducing effect on the number of dividing cells and exhibits an anti-proliferative effect of 25.7% compared to the control group. The antiproliferative mechanism of action was investigated by molecular docking and it was determined that the gallic acid and phytol in the extract decreased proliferation by interacting with telomerase. As a result, A.lividus extract consumed as food is a potential natural anti-microbial, anti-oxidant, anti-mutagenic and anti-proliferative source with its rich phytochemical content.

Overview

The claims and statistics of this paper haven’t been checked yet.

Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.

A few free checks a day · papers already verified open instantly · results are public

Integrity signals

Registry

Crossref · 10.1038/s41598-022-08421-8

Cites

1 of 1 references verified0 citation errors · 0 not checkable

Statistics

Figures

Figure 1 The amount of extractable substance, total phenolic, flavonoid, condensed tannin and saponin contents of A. lividus extract in different solvents. Each analysis was repeated three times and average values are given.
Figure 1 The amount of extractable substance, total phenolic, flavonoid, condensed tannin and saponin contents of A. lividus extract in different solvents. Each analysis was repeated three times and average values are given.CC BY · PubMed Central
Figure 2 GC–MS and HPLC spectrum of A. lividus extract. C14H30: tetradecane, C10H20: cyclodecane, C17H36: heptadecane, C20H40O: phytol, C18H54O9Si9: oktademetilcyclolononasiloxane, C29H50O: β-cytosterol.
Figure 2 GC–MS and HPLC spectrum of A. lividus extract. C14H30: tetradecane, C10H20: cyclodecane, C17H36: heptadecane, C20H40O: phytol, C18H54O9Si9: oktademetilcyclolononasiloxane, C29H50O: β-cytosterol.CC BY · PubMed Central
Figure 3 Radical scavenging activity of A. lividus leaf extract.
Figure 3 Radical scavenging activity of A. lividus leaf extract.CC BY · PubMed Central
Figure 4 Potential molecular interactions, binding affinities and potential molecular interactions of gallic acid and phytol with aquaporin. (a) Aquaporin-phytol complex, (b) aquaporin-gallic acid complex.
Figure 4 Potential molecular interactions, binding affinities and potential molecular interactions of gallic acid and phytol with aquaporin. (a) Aquaporin-phytol complex, (b) aquaporin-gallic acid complex.CC BY · PubMed Central
Figure 5 Potential molecular interactions, binding affinities and potential molecular interactions of gallic acid and phytol with arginase. (a) Arginase-phytol complex, (b) arginase-gallic acid complex.
Figure 5 Potential molecular interactions, binding affinities and potential molecular interactions of gallic acid and phytol with arginase. (a) Arginase-phytol complex, (b) arginase-gallic acid complex.CC BY · PubMed Central
Figure 6 Molecular docking of gallic acid and phytol with telomerase. (a) Telomerase-phytol complex, (b) telomerase-gallic acid complex.
Figure 6 Molecular docking of gallic acid and phytol with telomerase. (a) Telomerase-phytol complex, (b) telomerase-gallic acid complex.CC BY · PubMed Central
Figure 7 Genotoxicity induced by NaN3 and anti-mutagenic effects of A. lividus extract. (a) MN, (b) fragment, (c) vagrant chromosome, (d) sticky chromosome, (e) bridge, (f) unequal distribution of chromatin.
Figure 7 Genotoxicity induced by NaN3 and anti-mutagenic effects of A. lividus extract. (a) MN, (b) fragment, (c) vagrant chromosome, (d) sticky chromosome, (e) bridge, (f) unequal distribution of chromatin.CC BY · PubMed Central

Verification

Claims the paper makes

The claims and statistics of this paper haven’t been checked yet.

Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.

A few free checks a day · papers already verified open instantly · results are public

Claims other papers make about this one

Each is checked against this paper’s own text: does it say what the citing paper says it does?

Self-check

Percentages, sums and reported differences re-computed from the paper’s own numbers.

The self-check needs the paper’s full text.

Citations

Cites

Show all 1 references

Research works printed but not linked: 67

  1. Graça, V. C., Ferreira, I. C. & Santos, P. F. Phytochemical composition and biological activities of Geranium robertianum L.: A review. Ind. Crops Prod. 87, 363–437 (2016). · DOI
  2. Camejo-Rodrigues, J., Ascensao, L., Bonet, M. À. & Valles, J. An ethnobotanical study of medicinal and aromatic plants in the Natural Park of Serra de São Mamed” (Portugal). J. Ethnopharmacol. 89(2–3), 199–209 (2003). · DOI
  3. Rasul, M. G. Extraction, isolation and characterization of natural products from medicinal plants. Int. J. Basic Sci. Appl. Comput. 2, 1–6 (2018).
  4. Krogsgaard-Larsen, S. et al. (eds) Natural Products and Drug Development 34–45 (Munksgaard, 1994).
  5. Ozsoy, N., Yilmaz, T., Kurt, O., Can, A. & Yanardag, R. In vitro antioxidant activity of Amaranthus lividus L.. Food Chem. 116(4), 867–872 (2009). · DOI
  6. López, O. A., López, M. A. & Palou, E. Antioxidant capacity of extracts from amaranth seeds or leaves. Ind. Crops Prod. 53, 55–59 (2014). · DOI
  7. Tikekar, R. V., Ludescher, R. D. & Karwe, M. V. Processing stability of squalene in amaranth and antioxidant potential of amaranth extract. J. Agric. Food Chem. 56, 10675–10678 (2008). · DOI
  8. Shukla, S. et al. Mineral profile and variability in vegetable amaranth (Amaranthus tricolor). Plant Foods Hum. Nutr. 61, 23–28 (2006). · DOI
  9. Chaudhary, M. A. et al. Evaluation of gut modulatory and bronchodilator activities of Amaranthus spinosus Linn.. BMC Complement. Altern. Med. 12, 166 (2012). · DOI
  10. Nehal, N., Mann, S. & Gupta, R. K. Nutritional and phytochemical evaluation of A. lividus L. syn. Amaranthus blitum subsp. oleraceus (L.). IJTK 15(4), 669–674 (2016).
  11. Erdoğan, E. A. Using fields of plant essential oils and potential genetic effects. Mersin Uni. School Med. Lokman Hekim J. History Medicine Folk Med. 2(2), 21–24 (2012).
  12. Gündüz, A., Yalçın, E. & Çavuşoğlu, K. Combined toxic effects of aflatoxin B2 and the protective role of resveratrol in Swiss albino mice. Sci. Rep. 11(1), 1–14 (2021). · DOI
  13. Ayhan, B. S., Yalçın, E., Çavuşoğlu, K. & Acar, A. Antidiabetic potential and multi-biological activities of Trachystemon orientalis extracts. J. Food Meas. Charact. 13(4), 2887–2893 (2019). · DOI
  14. Aktumsek, A., Zengin, G., Guler, G. O., Cakmak, Y. S. & Duran, A. Antioxidant potentials and anticholinesterase activities of methanolic and aqueous extracts of three endemic Centaurea L. species. Food Chem. Toxicol. 55, 290–296 (2013). · DOI
  15. Praveen, K. P., Kumaravel, S. & Lalitha, C. Screening of antioxidant activity, total phenolics and GC-MS study of Vitex negundo. Afr. J. Biochem. Res. 4, 191–195 (2010).
  16. Weerasak, S. & Suwanna, V. Simultaneous determination of gallic acid, catechin, rutin, ellagic acid and quercetin in flower extracts of Michelia alba, Caesalpinia pulcherrima and Nelumbo nucifera by HPLC. Thai. Pharm. Health Sci. J. 2, 131–137 (2007).
  17. Efe, E., Yalcin, E. & Cavusoglu, K. Antimutagenic and multi-biological activities of Smilax excelsa L. fruit extract. Cumhuriyet Sci. J. 40(2), 440–446 (2019). · DOI
  18. Savage, D. F. et al. Architecture and selectivity in aquaporins: 2.5 Å X-ray structure of aquaporin Z. PLoS Biol. 1(3), e72 (2003). · DOI
  19. Bewley, M. C., Jeffrey, P. D., Patchett, M. L., Kanyo, Z. F. & Baker, E. N. Crystal structures of Bacillus caldovelox arginase in complex with substrate and inhibitors reveal new insights into activation, inhibition and catalysis in the arginase superfamily. Structure 7(4), 435–448 (1999). · DOI
  20. Bryan, C. et al. Structural basis of telomerase inhibition by the highly specific BIBR1532. Structure. 23(10), 1934–1942 (2015). · DOI
  21. Guex, N. & Peitsch, M. C. Swiss-model and the Swiss-Pdb viewer: An environment for comparative protein modeling. Electrophoresis 18, 2714–2723 (2005). · DOI
  22. O’Boyle, N. M. et al. Open babel: An open chemical toolbox. J. Cheminform. 3, 33 (2011). · DOI
  23. Morris, G. M. et al. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility. J. Comput. Chem. 30(16), 2785–2791 (2009). · DOI
  24. Rathnasamy, S., Mohamed, K. B., Sulaiman, S. F. & Akinboro, A. Evaluation of cytotoxic, mutagenic and antimutagenic potential of leaf extracts of three medicinal plants using Allium cepa chromosome assay. Int. Curr. Pharm. J. 2(8), 131–140 (2013). · DOI
  25. Yalçın, E., Uzun, A. & Çavuşoğlu, K. In vivo epiclorohidrine toxicity: Cytogenetic, biochemical, physiological and anatomical evidences. ESPR 26, 22400–22406 (2019).
  26. Siddhuraju, P. & Becker, K. Antioxidant properties of various extracts of total phenolic constituents from three different agroclimatic origins of drumstick tree (Moringa oleifera Lam.) leaves. J. Agric. Food Chem. 51, 2144–2155 (2003). · DOI
  27. Truong, D. H. et al. Evaluation of the use of different solvents for phytochemical constituents, antioxidants, and in vitro anti-inflammatory activities of Severinia buxifolia. J. Food Qual. 2019, 1–9 (2019). · DOI
  28. Franchis, G., Kerem, Z., Makkar, H. & Becker, K. The biological action of saponins in animal systems. BJN 88, 587–605 (2002). · DOI
  29. Zarin, M. A., Wan, H. Y., Isha, A. & Armania, N. Antioxidant, antimicrobial and cytotoxic potential of condensed tannins from Leucaena leucocephala hybrid-Rendang. Food Sci. Hum. Wellness 5(2), 65–75 (2016). · DOI
  30. Krishnamoorthy, K. & Subramaniam, P. Phytochemical profiling of leaf, stem and tuber parts of Solena amplexicaulis (Lam.) Gandhi, Using GC-MS. Int. Sch. Res. Notices 2014, 1–13 (2014). · DOI
  31. Santos, C. C. D. M. P. et al. Antinociceptive and antioxidant activities of phytol in vivo and in vitro models. Neurosci. J. 2013, 949452 (2013). · DOI
  32. Faix, Š, Juhas, Š & Faixová, Z. The effect of essential oil intake on changes of plasma antioxidant status in mice. Acta Vet. 76, 357–361 (2007). · DOI
  33. Rajabudeen, E., Ganthi, A. S., Subramanian, M. P. S. & Natarajan, K. GC-MS analysis of the methanol extract of Indigofera aspalathoides Vahl ex DC. J. Adv. Chem. Sci. 1, 6–8 (2015).
  34. Rouis-Soussi, L. S. et al. Chemical composition and antibacterial activity of essential oils from the Tunisian Allium nigrum L.. Excli. J. 13, 526 (2014).
  35. Paranthaman, R., Praveen, K. P. & Kumaravel, S. GC-MS analysis of phytochemicals and simultaneous determination of flavonoids in Amaranthus caudatus (Sirukeerai) by RP-HPLC. J. Anal. Bioanal. Technol. 3(5), 147 (2012).
  36. Gao, J., Hu, J., Hu, D. & Yang, X. A role of gallic acid in oxidative damage diseases: A comprehensive review. Nat. Prod. Commun. 14(8), 1934578–19874174 (2019).
  37. Kahkeshani, N. et al. Pharmacological effects of gallic acid in health and diseases: A mechanistic review. Iran. J. Basic Med. Sci. 22(3), 225 (2019).
  38. Birková, A., Hubková, B., Bolerázska, B., Mareková, M. & Čižmárová, B. Caffeic acid: A brief overview of its presence, metabolism, and bioactivity. BCHD. 3(4), 74–81 (2020). · DOI
  39. Arya, S. S., Sharma, M. M., Rookes, J. E., Cahill, D. M. & Lenka, S. K. Vanilla modulates the activity of antibiotics and inhibits efflux pumps in drug-resistant Pseudomonas aeruginosa. Biologia 76(2), 781–791 (2021). · DOI
  40. Abo-Salem, O. M. Kaempferol attenuates the development of diabetic neuropathic pain in mice: Possible anti-inflammatory and anti-oxidant mechanisms. Maced. J. Med. Sci. 2(3), 424–430 (2014). · DOI
  41. David, A. V. A., Arulmoli, R. & Parasuraman, S. Overviews of biological importance of quercetin: A bioactive flavonoid. Pharmacogn. Rev. 10(20), 84 (2016). · DOI
  42. Njoya, E. M. Medicinal Plants, Antioxidant Potential, and Cancer in Cancer 349–357 (Academic Press, 2021).
  43. Vázquez, L. H., Javier, P. & Arturo, N. The Pentacyclic Triterpenes Amyrins: A Review of Sources and Biological Activities in Phytochemicals—A Global Perspective of Their Role in Nutrition and Health (InTech Europe, 2012).
  44. Karamac, M., Kosinska, A. & Amarowicz, R. Chelating of Fe (II), Zn (II) and Cu (II) by tannin fractions separated from hazelnuts, walnuts and almonds. Bromat. Chem. Toksykol. 39, 257–260 (2006).
  45. Marino, T., Galano, A. & Russo, N. Radical scavenging ability of gallic acid toward OH and OOH radicals. Reaction mechanism and rate constants from the density functional theory. J. Phys. Chem. B. 118(35), 10380–10389 (2014). · DOI
  46. Breijyeh, Z., Jubeh, B. & Karaman, R. Resistance of gram-negative bacteria to current antibacterial agents and approaches to resolve it. Molecules 25(6), 1340 (2020). · DOI · Paper page
  47. Walker, L. A., Gow, N. A. & Munro, C. A. Elevated chitin content reduces the susceptibility of Candida species to caspofungin. Antimicrob. Agents Chemother. 57, 146–154 (2013). · DOI · Paper page
  48. Pudlo, M., Demougeot, C. & Girard-Thernier, C. Arginase inhibitors: A rational approach over one century. Med. Res. Rev. 37, 475–513 (2017). · DOI
  49. Fitzgerald, D. J. et al. Mode of antimicrobial action of vanillin against Escherichia coli, Lactobacillus plantarum and Listeria innocua. J. Appl. Microbiol. 97(1), 104–113 (2004). · DOI
  50. Maiyo, Z. C., Ngure, R. M., Matasyoh, J. C. & Chepkorir, R. Phytochemical constituents and antimicrobial activity of leaf extracts of three Amaranthus plant species. Afr. J. Biotechnol. 9(21), 3178–3182 (2010).
  51. Devi, C. A. Docking study on Mycobacterium tuberculosis receptors AccD5 and PKS18 with selected phytochemicals. IOSR-JPBS 4(4), 1–4 (2012). · DOI
  52. Arsianti, A. et al. Design and screening of gallic acid derivatives as inhibitors of malarial dihydrofolate reductase by in silico docking. Asian J. Pharm. Clin. Res. 10(2), 330–334 (2017). · DOI
  53. Marc, J., Mulner-Lorillon, O. & Bellé, R. Glyphosate-based pesticides affect cell cycle regulation. Biol. Cell 96(3), 245–249 (2004). · DOI
  54. Çavuşoğlu, K. et al. Investigation of toxic effects of the Glyphosate on Allium cepa. J. Agric. Sci. 17, 131–142 (2011).
  55. Teixeira, R. O., Camparoto, M. L., Mantovani, M. S. & Vicentini, V. E. P. Assessment of two medicinal plants, Psidium guajava L. and Achillea millefolium L., in in vitro and in vivo assays. Gen. Mol. Biol. 26(4), 551–555 (2003). · DOI
  56. López-García, G., Cilla, A., Barberá, R. & Alegría, A. Antiproliferative effect of plant sterols at colonic concentrations on Caco-2 cells. JFF 39, 84–90 (2017).
  57. Pan, J. et al. Dimer and tetramer of gallic acid: facile synthesis, antioxidant and antiproliferative activities. Lett. Drug Des. Discov. 11(1), 27–32 (2014). · DOI
  58. Procházková Schrumpfová, P., Fojtová, M. & Fajkus, J. Telomeres in plants and humans: Not so different, not so similar. Cells 8(1), 58 (2019). · DOI
  59. Sherin, D. R., Manojkumar, T. K., Prakash, R. C. & Sobha, V. N. Molecular docking and dynamics simulation study of telomerase inhibitors as potential anti-cancer agents. MT Proc. 46, 2898–2905 (2021).
  60. Demirtaş, G., Çavuşoğlu, K. & Yalçın, E. Aneugenic, clastogenic, and multi-toxic effects of diethyl phthalate exposure. ESPR 27(5), 5503–5510 (2020).
  61. Çavuşoğlu, D., Yalçın, E., Çavuşoğlu, K., Acar, A. & Yapar, K. Molecular docking and toxicity assesment of spirodiclofen: Protective role of Lycopene. ESPR. 40, 57372–57385 (2021).
  62. Gruszka, D., Szarejko, I. & Maluszynski, M. Sodium azide as a mutagen. In Plant Mutation Breeding and Biotechnology (eds Shu, Q. Y. et al.) 159–166 (CABI, 2012). · DOI
  63. Islam, M. T. et al. Phytol: A review of biomedical activities. Food Chem. Toxicol. 121, 82–94 (2018). · DOI · Paper page
  64. Hour, T. C., Liang, Y. C., Chu, I. S. & Lin, J. K. Inhibition of eleven mutagens by various tea extracts, (−) epigallocatechin-3-gallate, gallic acid and caffeine. Food Chem. Toxicol. 37(6), 569–579 (1999). · DOI
  65. Birošová, L., Mikulášová, M. & Vaverková, Š. Antimutagenic effect of phenolic acids. Biomed. Pap. 149(2), 489–491 (2005). · DOI
  66. Kumari, S., Elancheran, R. & Devi, R. Phytochemical screening, antioxidant, antityrosinase, and antigenotoxic potential of Amaranthus viridis extract. Ind. J. Pharm. 50(3), 130 (2018). · DOI
  67. Jadhav, V. & Biradar, S. D. Antimutagenic effects of ethanolic extracts of Amaranthus spinosus and Amaranthus hybridus. Int. J. Pharm. Med. Res. 2, 1–2 (2014).

Cited by

Metadata

Authors
Durhan, B., Yalçın, E., Çavuşoğlu, K., & Acar, A.
Venue
Scientific Reports
Publisher
Springer Science and Business Media LLC
Published
2022-03-12
Volume
12
Issue
1
ISSN
2045-2322
DOI
10.1038/s41598-022-08421-8
PMC
PMC8918320
Cited by
50
References
1
Language
en
Licence

About these checks

Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.

Statistics and arithmetic are recomputed, not judged.

Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.

What counts as a claim ›How we measure confidence ›How we check this ›

Are you an author, or do you see a problem with this page? Request a review

Data sources

Bibliographic data: Semantic Scholar, OpenAlex, Crossref.

Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.