Department of Industrial Chemistry, Addis Ababa Science and Technology University, Addis Ababa 16417, Ethiopia.
Department of Chemistry, Faculty of Natural and Computational Science, Woldia University, Woldia 400, Ethiopia.
Molecules. 2023 Jan 22;28(3):1111. doi: 10.3390/molecules28031111.
Shigellosis is one of the major causes of death in children worldwide. Flavonoids and phenolic acids are expected to demonstrate anti-shigellosis activity and anti-diarrheal properties. The aerial part of is commonly used against diarrhea. This study aimed to identify flavonoids and phenolic acids responsible for this therapeutic purpose. Antioxidant activity, total phenol content, and total flavonoid content were determined. The antibacterial activity of the aerial part against spp. was also tested using the agar well diffusion method. HPLC analysis was performed using UHPLC-DAD for different extracts of the aerial part. Autodock Vina in the PyRx platform was used to screen responsible components. Ciprofloxacin was used as a reference drug. An enzyme taking part in pyrimidine biosynthesis was used as a target protein. Molecular docking results were visualized using Discovery Studio and LigPlot1.4.5 software. Antioxidant activity, total phenol content, and total flavonoid content are more significant for the aerial part of . From HPLC analysis, the presence of the flavonoids, quercetin, myricetin, and rutin and the phenolic acids gallic acid, chlorogenic acid, and syringic acid were identified from the aerial part of Regarding the antibacterial activity, the aerial part shows considerable activity against spp. Binding energies, RMSD and Ki values, interaction type, and distance are considered to identify the components most likely responsible for the therapeutic effects and observed activity. Antioxidant activity, total phenol content, and total flavonoid content of the aerial part are in line with anti-shigellosis activity. The top five components that are most likely potentially responsible for therapeutic purposes and anti-shigellosis activity are chlorogenic acid, rutin, dihydroquercetin, dihydromyricetin, and kaempferol.
志贺氏菌病是全球儿童死亡的主要原因之一。类黄酮和酚酸有望表现出抗志贺氏菌病活性和抗腹泻特性。 的地上部分通常用于治疗腹泻。本研究旨在鉴定负责这种治疗目的的类黄酮和酚酸。测定了抗氧化活性、总酚含量和总黄酮含量。还使用琼脂孔扩散法测试了地上部分对 spp. 的抑菌活性。使用 UHPLC-DAD 对地上部分的不同提取物进行 HPLC 分析。在 PyRx 平台上使用 Autodock Vina 筛选负责成分。环丙沙星被用作参考药物。参与嘧啶生物合成的酶被用作靶蛋白。使用 Discovery Studio 和 LigPlot1.4.5 软件可视化分子对接结果。抗氧化活性、总酚含量和总黄酮含量对 的地上部分更为重要。从 HPLC 分析中，从 的地上部分鉴定出了类黄酮槲皮素、杨梅素和芦丁以及酚酸没食子酸、绿原酸和丁香酸。关于抗菌活性，地上部分对 spp. 显示出相当大的活性。结合能、RMSD 和 Ki 值、相互作用类型和距离被认为是识别最有可能负责治疗效果和观察到的活性的成分的关键。地上部分的抗氧化活性、总酚含量和总黄酮含量与抗志贺氏菌病活性一致。最有可能对治疗目的和抗志贺氏菌病活性负责的前五名成分是绿原酸、芦丁、二氢槲皮素、二氢杨梅素和山奈酚。
