从榕属植物中提取生物活性化合物及其体内生物筛选及计算机模拟分子对接分析。
In vivo biological screening of extract and bioactive compound from Ficus benghalensis L. and their in silico molecular docking analysis.
机构信息
Pharmaceutical Sciences Program, College of Pharmacy, Al Ain University, Al Ain, United Arab Emirates.
Department of Chemistry, University of Swabi, Ambar, Pakistan.
出版信息
Technol Health Care. 2024;32(6):4019-4030. doi: 10.3233/THC-231703.
BACKGROUND
Ficus benghalensis has been used by local health care practitioners to treat pain, inflammation, rheumatism, and other health issues.
OBJECTIVE
In this study, the crude extract and diverse fractions, along with the isolated compound of F. benghalensis were examined for their roles as muscle relaxants, analgesics, and sedatives.
METHODS
The extract and isolated compound 1 were screened for muscle-relaxant, analgesic, and sedative actions. The acetic acid-mediated writhing model was utilized for analgesic assessment, the muscle relaxant potential was quantified through traction and inclined plan tests, and the open field test was applied for sedative effects.
RESULTS
The extract/fractions (25, 50, and 100 mg/kg) and isolated compounds (2.5, 5, 10, and 20 mg/kg) were tested at various doses. A profound (p< 0.001) reduce in the acetic acid-mediated writhing model was observed against carpachromene (64.44%), followed by ethyl acetate (60.67%) and methanol (58.42%) fractions. A marked (p< 0.001) muscle relaxant activity was noticed against the isolated compound (71.09%), followed by ethyl acetate (66.98%) and methanol (67.10%) fractions. Regarding the sedative effect, a significant action was noted against the isolated compound (71.09%), followed by ethyl acetate (66.98%) and methanol (67.10%) fractions. Furthermore, the binding modes of the isolated compounds were explored using molecular docking. The molecular docking study revealed that the isolated compound possessed good binding affinity for COX2 and GABA. Our isolated compound may possess inhibitory activity against COX2 and GABA receptors.
CONCLUSION
The extract and isolated compounds of Ficus benghalensis can be used as analgesics, muscle relaxants, and sedatives. However, detailed molecular and functional analyses are essential to ascertain their function as muscle relaxants, analgesics, and sedatives.
背景
本地医疗从业者使用榕属植物来治疗疼痛、炎症、风湿等健康问题。
目的
本研究旨在探究榕属植物的粗提取物及其不同馏分以及分离得到的化合物是否具有肌肉松弛、镇痛和镇静作用。
方法
采用醋酸扭体法评估提取物和分离得到的化合物 1 的镇痛作用，通过牵引和倾斜平板试验评估其肌肉松弛潜力，通过旷场试验评估其镇静作用。
结果
在不同剂量下，对提取物/馏分（25、50 和 100mg/kg）和分离得到的化合物（2.5、5、10 和 20mg/kg）进行了测试。发现对映贝壳杉烯（64.44%）、乙酸乙酯（60.67%）和甲醇（58.42%）馏分具有显著的镇痛作用（p<0.001）。分离得到的化合物具有显著的肌肉松弛活性（71.09%），其次是乙酸乙酯（66.98%）和甲醇（67.10%）馏分。在镇静作用方面，分离得到的化合物（71.09%）表现出显著的活性，其次是乙酸乙酯（66.98%）和甲醇（67.10%）馏分。此外，还对分离得到的化合物进行了分子对接研究。分子对接研究表明，分离得到的化合物对 COX2 和 GABA 具有良好的结合亲和力。我们的分离化合物可能对 COX2 和 GABA 受体具有抑制活性。
结论
榕属植物的提取物和分离得到的化合物可用作镇痛药、肌肉松弛剂和镇静剂。然而，详细的分子和功能分析对于确定它们作为肌肉松弛剂、镇痛药和镇静剂的功能至关重要。
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