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通过体内、体外和计算机模拟方法解析树叶甲醇提取物的药理特性。

Deciphering the Pharmacological Properties of Methanol Extract of Leaves by In Vivo, In Vitro and In Silico Approaches.

作者信息

Bristy Tahmina Akter, Barua Niloy, Montakim Tareq Abu, Sakib Shahenur Alam, Etu Saida Tasnim, Chowdhury Kamrul Hasan, Jyoti Mifta Ahmed, Aziz Md Arfin Ibn, Reza A S M Ali, Caiazzo Elisabetta, Romano Barbara, Tareq Syed Mohammed, Emran Talha Bin, Capasso Raffaele

机构信息

Department of Pharmacy, International Islamic University Chittagong, Kumira, Chittagong 4318, Bangladesh.

Department of Theoretical and Computational Chemistry, University of Dhaka, Dhaka 1000, Bangladesh.

出版信息

Pharmaceuticals (Basel). 2020 Aug 6;13(8):183. doi: 10.3390/ph13080183.

Abstract

The present study explores the neuropharmacological, antinociceptive, antidiarrheal, antioxidant, thrombolytic and cytotoxic activity of methanol extract of leaves (MEPC). In anxiolytic activity testing of MEPC by elevated plus maze test, hole-board test and light-dark test, the extract exhibited a dose-dependent reduction of anxiety while the open field test observed a decreased locomotion. The administration of MEPC revealed a significant dose-dependent reduction of depressant behavior in forced swimming and tail suspension test. Additionally, the antinociceptive and antidiarrheal activity exposed a significant reduction of nociception and diarrheal behavior at the highest dose. In addition, a strong antioxidant activity was observed in DPPH-free radical-scavenging assay (IC = 461.05 μg/mL), total phenol content (118.31 ± 1.12 mg) and total flavonoid content (100.85 ± 0.97 mg). The significant clot-lysis activity was also observed with moderate toxicity (LC = 247.92 μg/mL) level in the lethality assay of brine shrimp. Moreover, in silico molecular docking study showed that the compound Psychotriasine could offer promising active site interactions for binding proteins. Furthermore, ADME/T and toxicological properties of the compound satisfied the Lipinski's rule of five and Veber rules for drug-like potential and toxicity level. Overall, MEPC had a potential neuropharmacological, antinociceptive, antidiarrheal and antioxidant activity that warranted further investigation.

摘要

本研究探讨了叶甲醇提取物(MEPC)的神经药理学、抗伤害感受、止泻、抗氧化、溶栓和细胞毒性活性。在通过高架十字迷宫试验、洞板试验和明暗试验对MEPC进行抗焦虑活性测试时,提取物表现出剂量依赖性的焦虑减轻,而旷场试验观察到运动减少。MEPC给药显示在强迫游泳和悬尾试验中抑郁行为有显著的剂量依赖性降低。此外,抗伤害感受和止泻活性在最高剂量时显示伤害感受和腹泻行为显著减少。另外,在DPPH自由基清除试验(IC = 461.05 μg/mL)、总酚含量(118.31 ± 1.12 mg)和总黄酮含量(100.85 ± 0.97 mg)方面观察到较强的抗氧化活性。在卤虫致死试验中也观察到显著的凝块溶解活性,毒性水平适中(LC = 247.92 μg/mL)。此外,计算机模拟分子对接研究表明,化合物Psychotriasine能与结合蛋白提供有前景的活性位点相互作用。此外,该化合物的ADME/T和毒理学特性符合类药潜力和毒性水平的Lipinski五规则和Veber规则。总体而言,MEPC具有潜在的神经药理学、抗伤害感受、止泻和抗氧化活性,值得进一步研究。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a118/7463710/1620542c1d96/pharmaceuticals-13-00183-g001.jpg

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