Exploration of analgesic and anthelmintic activities of Artocarpus chaplasha ROXB. leaves supported by in silico molecular docking

Q3 Pharmacology, Toxicology and Pharmaceutics Phytomedicine Plus Pub Date : 2025-05-01 Epub Date: 2025-02-05 DOI:10.1016/j.phyplu.2025.100761
S M Sohag , Sharmin Nur Toma , Md. Niaj Morshed , Md. Al Imran Imon , Md. Monirul Islam , Md. Ibnul Piash , Naznin Shahria , Imran Mahmud
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Abstract

Aartocarpus chaplasha is a medicinal tree native to tropical regions, valued for its diverse therapeutic properties and bioactive compounds found in its leaves, bark, and fruit. This study investigates the analgesic and anthelmintic properties of the ethanolic leaf extract of Aartocarpus chaplasha (ELAC). HPLC analysis identified key compounds in ELAC, including catechin hydrate, epicatechin, rutin hydrate, p-coumaric acid, rosmarinic acid, quercetin, and kaemferol. ADMET properties and molecular docking analysis were performed using the identified compounds and analgesic targets COX-1 and COX-2 and the anthelmintic target tubulin-colchicine. Analgesic activity was assessed using the acetic acid-induced writhing test on Swiss albino mice, while anthelmintic effects were evaluated against Paramphistomum cervi. In silico molecular docking suggested that catechin hydrate and kaempferol could be promising alternatives for analgesic activity due to their higher binding energy with COX-1 and COX-2. Moreover, rutin hydrate showed strong binding energy with tubulin-colchicine against anthelmintic properties. At a 500 mg/kg dosage, ELAC exhibited significant analgesic effects. In the anthelmintic tests, a 100 mg/mL concentration resulted in the lowest paralysis and death times of 14.03 and 18.03 mins, respectively. Our present study suggests that Aartocarpus chaplasha leaves can be a potential source of lead compounds for pain management and helminth infections and further advanced investigations are required in the future.

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石竹ROXB镇痛驱虫活性的研究。叶片由硅分子对接支撑
Aartocarpus chaplasha是一种原产于热带地区的药用树,因其多种治疗特性和在其叶子、树皮和果实中发现的生物活性化合物而受到重视。本实验研究了石竹(Aartocarpus chaplasha, ELAC)叶乙醇提取物的镇痛和驱虫药效。HPLC分析确定了ELAC中的主要化合物,包括水合儿茶素、表儿茶素、水合芦丁、对香豆酸、迷迭香酸、槲皮素和山奈酚。利用鉴定的化合物与镇痛靶点COX-1、COX-2和驱虫药靶点微管蛋白-秋水仙碱进行ADMET性质和分子对接分析。采用醋酸致瑞士白化小鼠扭体实验评估镇痛活性,同时评估对宫颈旁咽虫的驱虫作用。在硅分子对接表明,由于儿茶素水合物和山奈酚与COX-1和COX-2具有较高的结合能,可能是有希望的镇痛活性替代品。水合芦丁与微管蛋白-秋水仙碱具有较强的驱虫结合能。在500 mg/kg剂量下,ELAC表现出明显的镇痛作用。在驱虫药试验中,100 mg/mL浓度的麻痹和死亡时间最低,分别为14.03和18.03 min。我们目前的研究表明,石竹叶可能是治疗疼痛和蠕虫感染的先导化合物的潜在来源,未来需要进一步的深入研究。
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来源期刊
Phytomedicine Plus
Phytomedicine Plus Medicine-Complementary and Alternative Medicine
CiteScore
3.70
自引率
0.00%
发文量
178
审稿时长
81 days
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