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黑种草甲醇提取物抗炎、解热和镇痛活性的体内和计算机模拟分析

In vivo and in silico analysis of anti inflammatory, antipyretic and analgesic activity of methanolic extract of Nigella sativa.

作者信息

Zahra Nureen, Fatima Saher, Nazir Anum, Farrukh Syeda Yumna, Anwer Ayesha, Sarwar Abid, Aziz Tariq, Al Asmari Fahad, Nahari Aziza Mahdy, Jalal Rewa S, Al-Joufi Fakhria A, Alwethaynani Maher S

机构信息

Institute of Molecular Biology and Biotechnology, University of Lahore, Lahore, Pakistan.

Food and Biotechnology Research Lab, PCSIR Complex Lahore, Lahore 54590 Punjab, Pakistan.

出版信息

J Mol Histol. 2025 Mar 24;56(2):118. doi: 10.1007/s10735-025-10399-2.

DOI:10.1007/s10735-025-10399-2
PMID:40126708
Abstract

Nigella Sativa (N. sativa) belongs to the family of Ranunculaceae and is an annual herb which is also known as black cumin or black seed. Since ancient times N. sativa has been used because of its widespread therapeutic properties which has been proven effective in respiratory, cardiovascular, gastrointestinal, inflammatory conditions and in inflammation. This study investigates the antiinflammatory, antipyretic, and analgesic properties of Nigella sativa (N. sativa) methanol extract using albino rats (n = 36). Diclofenac and paracetamol were used as standard medications in the trial, and the four concentrations of the methanolic extract (250, 500, 1000, and 2000 mg/kg) were tested for their effects on inflammation, pain, and fever. The methanolic extract of N. sativa seeds showed significant inhibition of fever (96%), inflammation (89%), and pain (85%). In addition, bioactive compounds in the seeds, including thymol, p-cymene, and limonene, were examined through in-silico studies. Ligand molecules and proteins associated with anti-inflammatory, analgesic, and antipyretic effects were 1DFN, 1A06, and 3LN0, respectively. The molecular docking results indicated significant binding interactions, with effective binding energy values corresponding to analgesic, antipyretic, and anti-inflammatory properties. Both in-silico and in-vivo results demonstrate the efficacy of N. sativa methanol extract in alleviating pain, inflammation, and fever.

摘要

黑种草属于毛茛科,是一种一年生草本植物,也被称为黑孜然或黑籽。自古以来,黑种草因其广泛的治疗特性而被使用,这些特性已被证明在呼吸系统、心血管系统、胃肠道、炎症性疾病以及炎症方面有效。本研究使用白化大鼠(n = 36)研究黑种草甲醇提取物的抗炎、解热和镇痛特性。双氯芬酸和对乙酰氨基酚在试验中用作标准药物,并测试了四种浓度的甲醇提取物(250、500、1000和2000 mg/kg)对炎症、疼痛和发热的影响。黑种草种子的甲醇提取物对发热(96%)、炎症(89%)和疼痛(85%)有显著抑制作用。此外,通过计算机模拟研究检测了种子中的生物活性化合物,包括百里香酚、对伞花烃和柠檬烯。与抗炎、镇痛和解热作用相关的配体分子和蛋白质分别为1DFN、1A06和3LN0。分子对接结果表明存在显著的结合相互作用,有效结合能值对应于镇痛、解热和抗炎特性。计算机模拟和体内实验结果均证明黑种草甲醇提取物在减轻疼痛、炎症和发热方面的功效。

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