A Comprehensive Evaluation of the Neuropharmacological Potential of Methanolic Leaf Extract of Acanthus ebracteatus (Vahl.) Using Experimental and In Silico Approaches.

IF 2.3 3区化学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY

Chemistry & Biodiversity Pub Date : 2025-01-28 DOI:10.1002/cbdv.202402250

Md Aktaruzzaman, Md Tarikul Islam, Md Asaduzzaman Rakib, Bratati Sikdar, Saira Rehman, Md Sojiur Rahman, Md Touhid Hasan, Ghadeer M Albadrani, Muath Q Al-Ghadi, Mohamed Kamel, Lina A F Kurdi, Mariam K Alamoudi, Mohamed M Abdel-Daim, Rifat Rayhan, Md Shahin Sarker, Nadeem Fazal, Md Obayed Raihan

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Abstract

This study was undertaken to assess the antioxidant and neuropharmacological potentials of the methanol leaf extract of Acanthus ebracteatus (MAEL) through experimental and in silico methods. The phytochemical screening (PS) and GC-MS (gas chromatography-mass spectrometry) identified 28 phytochemicals with different classes in nature in MAEL. The MAEL revealed better antioxidant activity through various in vitro antioxidant assays. Additionally, in the tail suspension test (TST) and forced swimming test (FST), a dose-dependent reduction in immobility time was observed indicating antidepressant activity. In the elevated plus maze test (EPM), MAEL led to increased time spent and more entries in the open arms. At the same time, the hole board test (HBT) demonstrated an increase in head dipping compared to the control, both indicating anxiolytic activity. Moreover, a dose-dependent reduction in locomotor activities was observed in both the open field test (OFT) and hole cross test (HCT). Molecular docking showed better binding affinities of two compounds, CID-518982 and CID-236641. ADME/T analysis revealed good drug likeliness with no toxicity. Finally, the simulation demonstrated better structural stability with no significant fluctuations of the compounds with the selected receptors. In this study, compounds CID-518982 and CID-236641 might serve as drug candidates for treating anxiety and depression.

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来源期刊

Chemistry & Biodiversity 环境科学-化学综合

CiteScore

3.40

自引率

10.30%

发文量

475

审稿时长

2.6 months

期刊介绍： Chemistry & Biodiversity serves as a high-quality publishing forum covering a wide range of biorelevant topics for a truly international audience. This journal publishes both field-specific and interdisciplinary contributions on all aspects of biologically relevant chemistry research in the form of full-length original papers, short communications, invited reviews, and commentaries. It covers all research fields straddling the border between the chemical and biological sciences, with the ultimate goal of broadening our understanding of how nature works at a molecular level. Since 2017, Chemistry & Biodiversity is published in an online-only format.