Isolation, structural characterization, and molecular docking studies on the bioactive compound from n-Hexane extract of Emilia sonchifolia (L.) DC against the pancreatic cancer target Aurora 2 Kinase
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Pratibha Prabhakaran
Abstract
Objectives
Natural flora historically has played a substantial part in drug development since they serve as active ingredients in medications and templates for the synthesis of novel pharmaceuticals. Emilia sonchifolia is a conventionally utilised therapeutic flora in Indian pharmacopoeia. Therefore, the current study is intended to separate, structurally describe and analyse the anti-pancreatic cancer potential of isolated natural bio-constituents from E. sonchifolia (L.) DC.
Methods
n-Hexane extract using chromatographic techniques and structurally characterize them using spectroscopic techniques. Further, in silico molecular docking method was employed to investigate the bioactivity of the isolated compound against Aurora 2 Kinase (pancreatic cancer target protein).
Results
A mixture of stigmasterol with straight-chain monounsaturated alcohol (C49H86O) was isolated and identified from the aerial parts of E. sonchifolia using chromatographic techniques. The docking results showed that the isolated natural compound of stigmasterol with straight-chain monounsaturated alcohol has good docking results compared with Food and Drug Administration-permitted medicine.
Conclusions
Based on the outcomes, it can be concluded that the stigmasterol with straight-chain monounsaturated alcohol may act as a novel inhibitor for Aurora 2 Kinase. In the future, it may lead to the development of drugs targeting Aurora 2 Kinase for the effective treatment of pancreatic cancer.
Acknowledgments
We, the authors are thankful to Karpagam Academy of Higher Education, Coimbatore for Laboratory facilities to completed the research work. We would also express our sincere thanks to SAIF, Cochin University of Science and Technology, Cochin, India for providing NMR analysis.
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Research ethics: Not applicable.
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Informed consent: Not applicable.
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Author contributions: PP – Conceptualization; Methodology; Investigation; Writing – original draft. AS, HS, DD – Resources; Drafting the article. CP, PD, RMA – Methodology; Validation; review & editing. GVK – Conceptualization; Methodology; Supervision; Validation; Writing – review & editing.
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Use of Large Language Models, AI and Machine Learning Tools: None declared.
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Conflict of interests: The authors state no conflict of interest.
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Research funding: None declared.
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Data availability: Not applicable.
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Artikel in diesem Heft
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Artikel in diesem Heft
- Frontmatter
- Reviews
- Terpene-based novel invasomes: pioneering cancer treatment strategies in traditional medicine
- Mind-body practices for people living with dementia and their family carers: a systematic review
- Methodological advances in formulation and assay of herbal resources-based topical drug delivery systems
- Research Articles
- A potential therapeutic role of resveratrol in mitigating hepatotoxicity induced by paracetamol and alcohol
- A preclinical study on effect of betanin on sodium fluoride induced hepatorenal toxicity in Wistar rats
- Phytochemical characterization and evaluation of the biological activity spectrum of ethanolic fruit extract of Garcinia indica: a less explored plant of Ayurveda
- Scientific investigation on antibacterial, antioxidant, cytotoxic effects and TLC bioautography of Terminalia schimperiania stem bark extracts
- Albizia ferruginea (Guill. & Perr.) Benth. leaf abates deregulation of P53, IRS, HsD17β2, FTO, and CYP11a genes in polycystic ovarian syndrome rat
- Vernonia amygdalina aqueous leaf extract modulates metformin pharmacokinetics, inhibits CYP3A4 and CYP2C9 enzymes in streptozotocin-induced diabetic rats
- Quantitative determination of the antibacterial activity of licorice (Glycyrrhiza glabra) and tetracycline gel against Aggregatibacter actinomycetemcomitans (Aa), Porphyromonas gingivalis (Pg) and Prevotella intermedia (Pi) – a microbiological in vitro study
- In-silico screening of bioactive compounds of Moringa oleifera as potential inhibitors targeting HIF-1α/VEGF/GLUT-1 pathway against breast cancer
- Isolation, structural characterization, and molecular docking studies on the bioactive compound from n-Hexane extract of Emilia sonchifolia (L.) DC against the pancreatic cancer target Aurora 2 Kinase
- The impact of Omega-3 supplementation on arrhythmia reduction in acute coronary syndrome patients: a randomized clinical trial
- Evaluation of gastric tolerability for long-term use of diclofenac and celecoxib in male albino rats and potential gastroprotective benefits of royal jelly: a randomized controlled trial
- The efficacy of thread embedding acupuncture on pain score, neck disability index, and pressure pain threshold for myofascial pain therapy in the upper trapezius muscle
- Correction of hypoxic effects on target organs in pneumonia with phytotherapy
