Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Bahauddin Zakariya University, Multan 60000, Pakistan.
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan.
Molecules. 2023 May 1;28(9):3847. doi: 10.3390/molecules28093847.
The objective of the study is to evaluate the chemical characterisation, and biological and in silico potential of (Boiss.) Benth, an important halophyte commonly used in traditional medicine. The research focuses on the roots and aerial parts of the plant and extracts them using two solvents: methanol and dichloromethane. Chemical characterisation of the extracts was carried out using total phenolic contents quantification, GC-MS analysis, and LC-MS screening. The results exhibited that the aerial parts of the plant have significantly higher total phenolic content than the roots. The GC-MS and LC-MS analysis of the plant extracts revealed the identification of 18 bioactive compounds in each. The biological evaluation was performed using antioxidant, antibacterial, and in vitro antidiabetic assays. The results exhibited that the aerial parts of the plant have higher antioxidant and in vitro antidiabetic activity than the roots. Additionally, the aerial parts of the plant were most effective against Gram-positive bacteria. Molecular docking was done to evaluate the binding affinity (BA) of the bioactive compounds characterised by GC-MS with diabetic enzymes used in the in vitro assay. The results showed that the BA of γ-sitosterol was better than that of acarbose, which is used as a standard in the in vitro assay. Overall, this study suggests that the extract from aerial parts of using methanol as a solvent have better potential as a new medicinal plant and can provide a new aspect to develop more potent medications. The research findings contribute to the scientific data of the medicinal properties of and provide a basis for further evaluation of its potential as a natural remedy.
本研究旨在评估（Boiss.）Benth 的化学特征、生物学和计算机模拟潜力，它是一种常用于传统医学的重要盐生植物。研究集中在植物的根和地上部分，使用两种溶剂：甲醇和二氯甲烷进行提取。采用总酚含量定量、GC-MS 分析和 LC-MS 筛选对提取物进行化学特征分析。结果表明，植物地上部分的总酚含量明显高于根部。对植物提取物的 GC-MS 和 LC-MS 分析鉴定了每种提取物中的 18 种生物活性化合物。采用抗氧化、抗菌和体外抗糖尿病测定法进行生物学评价。结果表明，植物地上部分的抗氧化和体外抗糖尿病活性均高于根部。此外，植物地上部分对革兰氏阳性菌的作用最强。进行分子对接以评估通过 GC-MS 鉴定的生物活性化合物与体外测定中使用的糖尿病酶的结合亲和力 (BA)。结果表明，γ-谷甾醇的 BA 优于作为体外测定标准的阿卡波糖。总体而言，本研究表明，用甲醇作为溶剂从植物地上部分提取的提取物具有作为新型药用植物的更大潜力，并为开发更有效的药物提供了新的思路。该研究结果为药用特性的科学数据提供了依据，并为进一步评估其作为天然药物的潜力提供了基础。
