An evaluation of Sargassum cinctum anticancer properties utilizing in vitro testing and molecular docking, with assistance from GC-HRMS and FTIR

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dc.contributor.authorSalunke, Men_US
dc.contributor.authorMane, Pen_US
dc.contributor.authorKumbhar, Sen_US
dc.contributor.authorBalaji, Wakure Ben_US
dc.date.accessioned2024-11-30T11:21:19Z
dc.date.available2024-11-30T11:21:19Z
dc.date.issued2024-09
dc.description.abstractCancer is characterised by unregulated, uncontrollable cell development, which is a continuous abnormality in cellular behavior. This frequently results in the aggressive invasion, metastasis, and dispersal of malignant cells throughout different organs. Breast cancer is one of the most common types of cancer that is prevalent worldwide. In particular, it comes in second place after lung cancer in terms of cancer-related mortality among women. The current work concentrated on identifying bioactive components in ethanolic extracts of Sargassum cinctum by gas chromatography high-resolution mass spectroscopy (GC-HRMS) and Fourier-transformed infrared (FTIR) analysis. Following GC-HRMS and FT-IR studies, anticancer activity and molecular docking are carried out on the ethanolic extract of S. cinctum. Different bioactive compounds, including phenols, alcohols, amines, aldehydes, ketone esters, carboxylic acids, alkenes, and alkanes, are detected by the GC-HRMS and FT-IR analyses. Sargassum cinctum ethanolic extract exhibits strong anti-cancer properties. The IC50 value of the MCF 7 cell line and A549 cell line is 134.50 and 161.02 µg/ml, respectively. Asn923, Phe1047, Lys868, and Asp1046 from vascular endothelial growth factor receptor (VEGFR) and Met623, Asp690, and Lys567 from anexelekto (AXL) kinase are among the residues that may have contributed to the anti-cancer benefit observed in this study. Using in-silico approach, it was determined that the medications that target the VEGFR2 and AXL kinase receptors had anticancer properties. This is the first-hand evaluation of the bioactive elements of S. cinctum extracts that have anticancer potential, as far as we aware. Recent study proved value of in silico analyses in the search for new drugs and the capacity of marine compounds to produce distinctive bioactives with considerable biological activity.en_US
dc.identifier.affiliationsVilasrao Deshmukh Foundation, Group of Institutions, VDF School of Pharmacy, Latur, Indiaen_US
dc.identifier.affiliationsDepartment of Pharmacy, Terna Public Charitable Trust’s, College of Engineering, Dharashiv, Indiaen_US
dc.identifier.affiliationsDSTS Mandal’s College of Pharmacy, Solapur, Indiaen_US
dc.identifier.affiliationsVilasrao Deshmukh Foundation, Group of Institutions, VDF School of Pharmacy, Latur, Indiaen_US
dc.identifier.citationSalunke M, Mane P, Kumbhar S, Balaji Wakure B. An evaluation of Sargassum cinctum anticancer properties utilizing in vitro testing and molecular docking, with assistance from GC-HRMS and FTIR. Journal of Applied Pharmaceutical Science. 2024 Sept; 14(9): 169-181en_US
dc.identifier.issn2231-3354
dc.identifier.placeIndiaen_US
dc.identifier.urihttps://imsear.searo.who.int/handle/123456789/237695
dc.languageenen_US
dc.publisherOpen Science Publishers LLPen_US
dc.relation.issuenumber9en_US
dc.relation.volume14en_US
dc.source.urihttps://doi.org/10.7324/JAPS.2024.184768en_US
dc.subjectSargassum cinctumen_US
dc.subjectGCHRMSen_US
dc.subjectFT-IRen_US
dc.subjectanticanceren_US
dc.subjectdocking studies.en_US
dc.titleAn evaluation of Sargassum cinctum anticancer properties utilizing in vitro testing and molecular docking, with assistance from GC-HRMS and FTIRen_US
dc.typeJournal Articleen_US
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