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通过体外和计算机模拟方法探索细枝红千层(Callistemon viminalis (Sol. ex Gaertn.) G.Don ex Loudon)的植物化学特征和生物活性

Exploring Phytochemical Profile and Biological Activities of Callistemon viminalis (Sol. ex Gaertn.) G.Don ex Loudon) By In vitro and In silico Approaches.

作者信息

Kanwal Shamsa, Ahmad Saeed, Rao Huma, Khan Kashif Ur Rehman, Zeeshan Muhammad, Farooq Samra

机构信息

Department of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, 63100, Punjab, Pakistan.

出版信息

Chem Biodivers. 2025 Feb;22(2):e202401732. doi: 10.1002/cbdv.202401732. Epub 2024 Nov 14.

Abstract

Callistemon viminalis (Sol. ex Gaertn.) G.Don ex Loudon) (family: Myrtaceae) is used for its medicinal properties in treating various metabolic disorders. We investigated the chemical characterization and biological screening of the n-hexane extract of C. viminalis. The total phenolic content was (37.45±7.40 mg GA.E/g D.E±S.D) and the total flavonoid content was (18.43±6.34 mg R.E/g D.E±S.D). GC-MS screening of the n-hexane extract tentatively identified 70 bioactive phytochemicals. The maximum antioxidant potential (289.99±9.01 mg T.E/g D.E±S.D) was observed via the FRAP assay. Enzyme inhibition assays revealed that n-hexane extract of C. viminalis showed enzyme inhibition against the enzymes including α-glucosidase (6.9±0.13 mmol of ACA.E/g D.E±S.D); α-amylase (7.2±0.56 mmol of ACA.E/g D.E±S.D), urease (4.95±0.9 mg of TU.E/g D.E±S.D), acetylcholinesterase (2.9±0.08 mg GALA.E/g D.E±S.D), lipoxygenase (4.93±1.05 mg of Indo.E/g D.E±S.D) and tyrosinase (4.33±0.62 mg of KA.E/g D.E±S.D). The extract showed maximum antibacterial activity against Staphylococcus aureus (71.30±4.44 %) followed by Bacillus subtilis (68.55±2.70 %), Pseudomonas aeruginosa (57.86±6.02 %), and Salmonella typhi (53.90±5.05 %). Docking studies revealed good docking interactions between ligands and the studied enzymes, whereas ADME analysis revealed the pharmacokinetic profiles of the phytoconstituents. C. viminalis possesses promising therapeutic potential and can be further explored for drug development and drug design.

摘要

细枝红千层(Callistemon viminalis (Sol. ex Gaertn.) G.Don ex Loudon)(桃金娘科)因其药用特性被用于治疗各种代谢紊乱。我们对细枝红千层正己烷提取物进行了化学表征和生物活性筛选。总酚含量为(37.45±7.40 mg没食子酸当量/g干提取物±标准差),总黄酮含量为(18.43±6.34 mg芦丁当量/g干提取物±标准差)。对正己烷提取物的气相色谱 - 质谱联用(GC - MS)筛选初步鉴定出70种具有生物活性的植物化学物质。通过铁离子还原抗氧化能力(FRAP)测定法观察到最大抗氧化潜力为(289.99±9.01 mg Trolox当量/g干提取物±标准差)。酶抑制试验表明,细枝红千层正己烷提取物对包括α - 葡萄糖苷酶(6.9±0.13 mmol阿卡波糖当量/g干提取物±标准差)、α - 淀粉酶(7.2±0.56 mmol阿卡波糖当量/g干提取物±标准差)、脲酶(4.95±0.9 mg甲苯磺丁脲当量/g干提取物±标准差)、乙酰胆碱酯酶(2.9±0.08 mg加兰他敏当量/g干提取物±标准差)、脂氧合酶(4.93±1.05 mg吲哚美辛当量/g干提取物±标准差)和酪氨酸酶(4.33±0.62 mg曲酸当量/g干提取物±标准差)在内的多种酶具有抑制作用。该提取物对金黄色葡萄球菌表现出最大抗菌活性(71.30±4.44 %),其次是枯草芽孢杆菌(68.55±2.70 %)、铜绿假单胞菌(57.86±6.02 %)和伤寒沙门氏菌(53.90±5.05 %)。分子对接研究揭示了配体与所研究酶之间良好的对接相互作用,而药物代谢动力学(ADME)分析揭示了植物成分的药代动力学特征。细枝红千层具有良好的治疗潜力,可进一步用于药物开发和药物设计研究。

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