Chemical Composition, In Vitro and In silico Evaluation of Essential Oil Extracted from Mentha Piperita L. for Lung Cancer

IF 1.2 4区 医学 Q4 CHEMISTRY, MEDICINAL Letters in Drug Design & Discovery Pub Date : 2023-10-20 DOI:10.2174/0115701808266939231011044527
Bhim Singh, Amit Kumar, Kumari Sunita Prajapati, Shivam Patel, Shashank Kumar, Vikas Jaitak
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Abstract

Background: Mentha piperita, a naturally occurring herb, is utilized in medicinal formulations. It possesses abundant bioactive elements, including flavonoids and phenolic acid compounds,that exhibit various properties such as antioxidants, anti-inflammatory and anti-cancer. Objective: In the present study, chemical constituents of essential oil extracted from Mentha piperita were analyzed and identified through GC-MS. In vitro antiproliferative activity was performed on A549 lung cancer cell line lines. In silico study was conducted by Schrodinger’s Maestro’s software to identify chemical constituents in the plant as potential EGFR (Epidermal Growth Factor Receptors) inhibitors Methods: Hydro-distilled essential oil was analyzed by GC-MS to identify chemical components based on the retention index and mass fragmentation pattern, which was then tested for its antiproliferative activity by MTT assay against human lung cancer cell lines. All the identified constituents were investigated in silico for their affinity towards EGFR (Epidermal Growth Factor Receptors). Result: A total of thirty constituents were identified where D-carvone (56.69%), L-limonene (12.36%), squalene (3.36%), cis-carveol (2.93%), and α-amorphene (2.36%) were observed as major constituents of the essential oil. The essential mentha oil also exhibited antiproliferative activity against lung cancer cell lines with an IC50 value of 86.05 µg/ml. Furthermore, from the in silico study, five constituents were identified to have a better affinity for EGFR (Epidermal Growth Factor Receptors) than that of the standard drug Osimertinib. Conclusion: In the present study, the aerial part of the plant Mentha piperita was hydrodistilled.Thirty phytoconstituents were identified through GC-MS data. An in-silico study was performed using Schrodinger software, and a further in vitro study was performed in which essential oil showedgood antiproliferative activity against the A549 cancer cell line.
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薄荷精油对肺癌的化学成分、体外及计算机评价
背景:薄荷,一种天然草本植物,被用于药物制剂。它含有丰富的生物活性成分,包括黄酮类化合物和酚酸类化合物,具有抗氧化、抗炎和抗癌等多种特性。目的:采用气相色谱-质谱联用技术对薄荷精油的化学成分进行分析鉴定。对A549肺癌细胞株进行体外抑增殖实验。方法:采用气相色谱-质谱联用(GC-MS)法,根据保留指数和质量碎片模式对水蒸馏精油进行化学成分鉴定,然后采用MTT法检测其对人肺癌细胞系的抗增殖活性。所有鉴定的成分都通过计算机研究了它们对表皮生长因子受体(EGFR)的亲和力。结果:共鉴定出30种成分,其中d -香芹酮(56.69%)、l -柠檬烯(12.36%)、角鲨烯(3.36%)、顺式香芹醇(2.93%)、α-阿莫菲(2.36%)为主要成分。薄荷精油对肺癌细胞也有抑制增殖的作用,IC50值为86.05µg/ml。此外,从计算机研究中,鉴定出五种成分比标准药物奥西莫替尼对表皮生长因子受体(EGFR)具有更好的亲和力。结论:本研究采用水蒸气蒸馏法提取了薄荷属植物的地上部分。通过GC-MS数据鉴定了30种植物成分。使用薛定谔软件进行了计算机研究,并进行了进一步的体外研究,其中精油对A549癌细胞系显示出良好的抗增殖活性。
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来源期刊
CiteScore
1.80
自引率
10.00%
发文量
245
审稿时长
3 months
期刊介绍: Aims & Scope Letters in Drug Design & Discovery publishes letters, mini-reviews, highlights and guest edited thematic issues in all areas of rational drug design and discovery including medicinal chemistry, in-silico drug design, combinatorial chemistry, high-throughput screening, drug targets, and structure-activity relationships. The emphasis is on publishing quality papers very rapidly by taking full advantage of latest Internet technology for both submission and review of manuscripts. The online journal is an essential reading to all pharmaceutical scientists involved in research in drug design and discovery.
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