Anticancer activity of Lannea coromandelica on B16F10 melanoma cell line: an in vitro and molecular docking approach

IF 2.2 4区医学 Q2 INTEGRATIVE & COMPLEMENTARY MEDICINE

Journal of Herbal Medicine Pub Date : 2024-10-18 DOI:10.1016/j.hermed.2024.100958

Prakash I. Nargatti , Kiran A. Wadkar

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引用次数: 0

Abstract

Introduction

Phytochemical screening was conducted on various bark extracts of Lannea coromandelica to assess their anticancer property against the B16F10 melanoma cell line. The phytoconstituents that were previously identified were utilized in molecular docking studies against the human tyrosinase related protein 1 (TYRP1) as a target receptor in order to provide more evidence for anticancer property.

Methods

Bark powder was extracted by maceration method using distilled water and soxhlet extraction using ethanol. The preliminary phytochemical evaluation and determination of total phenolic and flavonoid content of both extracts were conducted using biochemical assays. The present study investigated the possible anticancer effects of ethanol and aqueous extracts on the B16F10 melanoma cell line using the 3-4,5-dimethylthiazol-2-yl-2,5-diphenyl tetrazolium bromide (MTT) assay and 4,6-diamidino-2-phenylindole (DAPI) labeling techniques. The present study employed molecular docking techniques to assess the binding interactions between phytoconstituents and the TYRP1 protein, utilizing AutoDock Vina module of PyRx 0.8 software.

Results

The phytochemical analysis found flavonoids, steroids, terpenoids, tannins, phenolic compounds, saponins, anthraquinones, cardiac glycosides, and proteins. Ethanolic extract shown preferential cytotoxicity to B16F0 melanoma cell line in-vitro (IC₅₀ = 9.69 ± 0.68 μg/ml), while aqueous extract exhibited IC₅₀ = 75.49 ± 5.95 μg/ml. DAPI staining showed that treated cells had altered nucleus morphology, including apoptotic bodies. According to molecular docking investigations, Quercetin has the highest binding affinity (−9.6 Kcal/mol), followed by Catechin and Myricadiol.

Conclusion

The current investigation has determined that L. coromandelica exhibits cytotoxic characteristic, as evidenced by the utilization of computer aided drug design models and in-vitro experimentation.

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Lannea coromandelica 对 B16F10 黑色素瘤细胞系的抗癌活性：一种体外和分子对接方法

导言：对Lannea coromandelica的各种树皮提取物进行了植物化学筛选，以评估它们对B16F10黑色素瘤细胞系的抗癌特性。方法用蒸馏水浸泡法和乙醇索氏提取法提取树皮粉末。采用生化分析法对两种提取物进行了初步植物化学评价，并测定了总酚和类黄酮的含量。本研究采用 3-4,5-二甲基噻唑-2-基-2,5-二苯基溴化四唑（MTT）测定法和 4,6-二脒基-2-苯基吲哚（DAPI）标记技术，研究了乙醇提取物和水提取物对 B16F10 黑色素瘤细胞系可能产生的抗癌作用。本研究利用 PyRx 0.8 软件的 AutoDock Vina 模块，采用分子对接技术来评估植物成分与 TYRP1 蛋白质之间的结合相互作用。结果植物化学分析发现了黄酮类、甾体类、萜类、单宁酸、酚类化合物、皂甙、蒽醌类、强心甙和蛋白质。乙醇提取物在体外对 B16F0 黑色素瘤细胞系具有优先细胞毒性（IC50 = 9.69 ± 0.68 μg/ml），而水提取物的 IC50 = 75.49 ± 5.95 μg/ml。DAPI 染色显示，处理过的细胞的细胞核形态发生了改变，包括凋亡体。根据分子对接研究，槲皮素的结合亲和力最高（-9.6 Kcal/mol），其次是儿茶素和米卡二醇。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Herbal Medicine INTEGRATIVE & COMPLEMENTARY MEDICINE-

CiteScore

3.90

自引率

0.00%

发文量

期刊介绍： The Journal of Herbal Medicine, the official journal of the National Institute of Medical Herbalists, is a peer reviewed journal which aims to serve its readers as an authoritative resource on the profession and practice of herbal medicine. The content areas of the journal reflect the interests of Medical Herbalists and other health professionals interested in the clinical and professional application of botanical medicines. The objective is to strengthen the research and educational base of herbal medicine with research papers in the form of case studies, original research articles and reviews, monographs, clinical trials and relevant in vitro studies. It also publishes policy statements, opinion pieces, book reviews, conference proceedings and profession related information such as pharmacovigilance reports providing an information source for not only the Herbal Practitioner but any Health professional with an interest in phytotherapy.