Exploring Antimalarial and Cytotoxic Activities of Hibiscus cannabinus and Corchorus capsularis Extracts through In-Vitro and In-Silico Approaches.

IF 2.3 3区 化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY Chemistry & Biodiversity Pub Date : 2024-11-20 DOI:10.1002/cbdv.202402366
Mettle Brahma, Prajjalendra Barooah, Mulaka Maruthi
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Abstract

Malaria disease is an infectious disease, endemic to tropical and sub-tropical regions causing half a million people's deaths every year. Bioactive compounds derived from medicinal plants are used to treat malaria disease. H. cannabinus and C. capsularisare two edible medicinal plants abundant in distribution in the Assam region, India. In this study, in-vitro and in-silico investigations were performed to explore the anti-malarial activity of the plant extracts against Plasmodium falciparum with its validation of hemocompatibility on human RBC. We report H. cannabinus and C. capsularis extracts possess highly potent antimalarial activity against Plasmodium falciparum with IC50 values of 3.80 ± 0.3 μg/mL and 7.90 ± 0.8 μg/mL, respectively. The plant extracts showed growth inhibition of A549 lung adenocarcinoma cells, no toxicity on noncancerous Vero cells, and no hemolytic activity on human RBCs. The GC-MS analysis detected bioactive compounds 2-pyrazoline-3-carboxylic acid; 5-hydroxy-1-(4-methyl benzoyl)-5-phen 5-oxo-1-phenyl-4H-pyrazole-3-carboxylic acid; 9-oximino-2,7-diethoxyfluorene; and nonane-diamide, n, n'-di-benzoyloxy in H. cannabinus; and, (+)-sesamin; tetrahydropyran-4-carboxylic acid, 4-phenyl-, (3-chloro-4-methylphenyl; and safrole in C. capsularis. In the in-silico study, antimalarial compounds in the extracts were predicted with good binding affinities of docking score < -7.5 kcal/mol on Falcipain-2, and Cyt C2 proteins that help the growth and invasion of P. falciparum.

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通过体外和微观方法探索木槿提取物的抗疟和细胞毒性活性
疟疾是一种传染病,是热带和亚热带地区的地方病,每年造成 50 万人死亡。从药用植物中提取的生物活性化合物可用于治疗疟疾。H. cannabinus 和 C. capsularis 是分布在印度阿萨姆地区的两种可食用药用植物。在这项研究中,我们进行了体外和体内研究,以探索植物提取物对恶性疟原虫的抗疟活性,并验证其对人类红细胞的血液相容性。我们发现 H. cannabinus 和 C. capsularis 提取物对恶性疟原虫具有很强的抗疟活性,IC50 值分别为 3.80 ± 0.3 μg/mL 和 7.90 ± 0.8 μg/mL。植物提取物对 A549 肺腺癌细胞有生长抑制作用,对非癌细胞 Vero 细胞无毒性,对人类红细胞无溶血活性。气相色谱-质谱分析在 H. cannabinus 中检测到生物活性化合物 2-吡唑啉-3-羧酸;5-羟基-1-(4-甲基苯甲酰)-5-苯 5-氧代-1-苯基-4H-吡唑-3-羧酸;9-氧亚氨基-2,7-二乙氧基芴;以及壬烷二酰胺,n,n'-二苯甲酰氧基。和黄樟素。在硅学研究中,预测提取物中的抗疟化合物与有助于恶性疟原虫生长和入侵的镰刀蛋白-2 和 Cyt C2 蛋白具有良好的结合亲和力,对接得分小于 -7.5 kcal/mol。
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来源期刊
Chemistry & Biodiversity
Chemistry & Biodiversity 环境科学-化学综合
CiteScore
3.40
自引率
10.30%
发文量
475
审稿时长
2.6 months
期刊介绍: Chemistry & Biodiversity serves as a high-quality publishing forum covering a wide range of biorelevant topics for a truly international audience. This journal publishes both field-specific and interdisciplinary contributions on all aspects of biologically relevant chemistry research in the form of full-length original papers, short communications, invited reviews, and commentaries. It covers all research fields straddling the border between the chemical and biological sciences, with the ultimate goal of broadening our understanding of how nature works at a molecular level. Since 2017, Chemistry & Biodiversity is published in an online-only format.
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