GC-MS analysis and pharmacological potentiality of Lasia spinosa (L.) Thwaites leaves and fruit extracts: an in vitro and in silico studies.

In silico pharmacology Pub Date : 2024-07-15 eCollection Date: 2024-01-01 DOI:10.1007/s40203-024-00235-y
Md Anamul Haq, Md Eram Hosen, Rakhi Rani, Alomgir Hossain, Mahmudur Rahman, Md Sagor Ali, Rashed Zaman, Md Khalekuzzaman, Md Asadul Islam, Amti Kumar Dutta, Uzzal Kumar Acharjee
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Abstract

Lasia spinosa (L. spinosa) is widely used in Asian countries for treating various diseases and as a vegetable, yet its bioactive properties remain under-researched. It is traditionally utilized in Ayurveda and the AYUSH system of medicine for its medicinal properties, and commonly used to treat digestive disorders, respiratory issues, and inflammatory conditions. This study aims to identify the phytochemicals in L. spinosa leaves and fruit extracts and evaluate their biological activities. Phytochemicals in methanol extracts of L. spinosa fruits and leaves were identified by GC-MS analysis. Antioxidant and cytotoxic activities were assessed using the DPPH free radical and nitric oxide (NO) scavenging assay and brine shrimp lethality test. Antibacterial activity was evaluated against Shigella boydii, Shigella flexneri, Streptococcus iniae, and Streptococcus dysgalactiae, while antifungal properties were tested against Cercospora beticola and Rhizoctonia solani. Molecular docking was conducted to predict the effectiveness of L. spinosa phytochemicals against NADPH oxidase and the Shigella effector OspG. Nine compounds were detected from both extracts. The methanol leaves extract exhibited superior antioxidant activity compared to the fruit extract, with IC50 values of 111.81 ± 8.99 µg/ml and 174.81 ± 4.86 µg/ml, respectively, as determined by the DPPH scavenging assay. The nitric oxide (NO) scavenging assay also revealed higher potency in the leaves extract (IC50 = 138.59 ± 1.50 µg/ml) compared to the fruit extract (IC50 = 196.47 ± 1.72 µg/ml). Both extracts showed significant antimicrobial activity against all tested microorganisms. In silico studies indicated notable inhibitory activity of all phytochemicals against the target proteins, with Linoelaidic acid and 9-Octadecenamide, (Z)- exhibiting the highest activity against NADPH oxidase (PDB: 2cdu) and Shigella flexneri OspG effector kinase (PDB: 4bvu), respectively. These findings suggest that L. spinosa has potent antioxidant and antimicrobial activities. Compounds from this plant could serve as lead compounds for developing antioxidant and antibacterial agents. However, molecular studies should be addressed.

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Lasia spinosa (L.) Thwaites 叶子和果实提取物的气相色谱-质谱分析和药理潜力:体外和硅学研究。
刺芹(L. spinosa)在亚洲国家被广泛用于治疗各种疾病和作为蔬菜,但对其生物活性特性的研究仍然不足。传统上,阿育吠陀和 AYUSH 医学体系利用其药用特性,常用于治疗消化系统疾病、呼吸系统问题和炎症。本研究旨在鉴定刺五加叶和果提取物中的植物化学物质,并评估其生物活性。通过气相色谱-质谱分析鉴定了刺五加果实和叶片甲醇提取物中的植物化学物质。使用 DPPH 自由基和一氧化氮清除试验以及盐水虾致死试验评估了抗氧化和细胞毒性活性。评估了针对童志贺氏菌、柔性志贺氏菌、猪链球菌和痢疾链球菌的抗菌活性,同时测试了针对 Cercospora beticola 和 Rhizoctonia solani 的抗真菌特性。为了预测刺五加植物化学物质对 NADPH 氧化酶和志贺氏杆菌效应子 OspG 的有效性,进行了分子对接。两种提取物中都检测到了九种化合物。与果实提取物相比,甲醇叶提取物的抗氧化活性更强,经 DPPH 清除试验测定,IC50 值分别为 111.81 ± 8.99 µg/ml 和 174.81 ± 4.86 µg/ml。一氧化氮(NO)清除试验也显示,与果实提取物(IC50 = 196.47 ± 1.72 µg/ml)相比,叶提取物的效力更高(IC50 = 138.59 ± 1.50 µg/ml)。两种提取物对所有测试微生物都有明显的抗菌活性。硅学研究表明,所有植物化学物质对目标蛋白质都有显著的抑制活性,其中壬二酸和 9-十八烯酰胺 (Z)- 对 NADPH 氧化酶(PDB:2cdu)和柔性志贺氏菌 OspG 效应激酶(PDB:4bvu)的活性最高。这些研究结果表明,L. spinosa 具有强大的抗氧化和抗菌活性。该植物的化合物可作为开发抗氧化剂和抗菌剂的先导化合物。不过,还需要进行分子研究。
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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