Aims: The present study aims to determine the antimicrobial efficacy of Alphonsea madraspatana leaves extract against selected uropathogens.

Background: The plant Alphonsea madraspatana is an endangered species, reported to exhibit high antimicrobial activity due to the presence of phenolic compounds. Prevalence of high UTI infection and increased cases of bacterial resistance directed for alternative approach to meet the challenge of drug resistance.

Objective: Our objective is to determine antimicrobial efficacy of Alphonsea madraspatana leaves extract against selected uropathogens and subsequent in-silico analysis to predict the underlying mechanism.

Methods: Phytochemicals extraction from the dried leaves of Alphonsea madraspatana was performed using solvent gradient technique. All the extracts were subjected to preliminary phytochemical screening using liquid chromatography-mass spectrometry. Antimicrobial activity of the prepared extract was determined against the selected uropathogens using agar diffusion method. Finally, molecular docking study of the selected bio-actives was performed against a representative bacterial resistance enzyme ‘‘DNA Gyrase”.

Results: Methanolic extract exhibits relatively higher antimicrobial activity against the selected strains with Minimum Inhibitory Concentration (MIC) and minimum bactericidal concentration (MBC) of 1.56 ± 1 ug/mL and 6.25 ± 2 ug/mL, respectively. Phytochemical screening showed the presence of 3 flavonoids compounds such as Luteolin-7-O-glucoside, Kaempferol-3-O- rotinoside-7-O-rhamnoside and Genestein-7-O-glucoside. The results of molecular docking shows Luteolin-7-O-glucoside has best docking scores of −8.5 kcal/mol than other ligand molecules. Experimental simulation in presence of DNA Gyrase inhibitors showed lowest MIC and MBC value for E. Coli, which was found to be 1.56 ±1 ug/mL and 6.25±2 ug/mL respectively, support the docking outcomes.

Conclusion: Outcomes of this study suggested that the methanolic extract of this plant shows good anti-microbial potential against resistant uropathogens.

目的：本研究旨在确定Alphonsea madraspatana叶提取物对选定的尿路致病菌的抗菌功效。

背景：Alphonsea madraspatana植物是一种濒临灭绝的物种，据报道由于存在酚类化合物而具有很高的抗菌活性。高尿路感染的患病率和细菌耐药性的增加导致了寻找替代方法来应对耐药性的挑战。

目的：我们的目标是确定Alphonsea madraspatana叶提取物对选定的尿路致病菌的抗菌功效，并随后进行计算机模拟分析以预测其潜在机制。

方法：采用溶剂梯度技术从香蒲的干燥叶片中提取植物化学物质。使用液相色谱-质谱法对所有提取物进行初步植物化学筛选。使用琼脂扩散法测定制备的提取物对所选尿路致病菌的抗菌活性。最后，针对代表性的细菌抗性酶“ DNA促旋酶”进行了所选生物活性物质的分子对接研究。

结果：甲醇提取物对所选菌株表现出相对较高的抗菌活性，最小抑菌浓度（MIC）和最小杀菌浓度（MBC）分别为1.56±1 ug / mL和6.25±2 ug / mL。植物化学筛选显示存在3种类黄酮化合物，如木犀草素-7-O-葡糖苷，山emp酚-3-O-罗替尼苷-7-O-鼠李糖苷和Genestein-7-O-葡糖苷。分子对接的结果表明，木犀草素-7-O-葡糖苷比其他配体分子的最佳对接得分为-8.5 kcal / mol。在存在DNA促旋酶抑制剂的情况下进行的实验模拟表明，大肠杆菌的最低MIC和MBC值分别为1.56±1 ug / mL和6.25±2 ug / mL，支持对接结果。

结论：这项研究的结果表明该植物的甲醇提取物对耐药性尿路病原菌具有良好的抗微生物潜力。