Extraction methods and computational approaches for evaluation of antimicrobial compounds from Capparis zeylanica L
Extraction methods and computational approaches for evaluation of antimicrobial compounds from Capparis zeylanica L
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DOI：
10.1016/j.ab.2019.02.006
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发表时间：
2019-05-01
影响因子：
2.9
通讯作者：
Jayanthi, S.
中科院分区：
文献类型：
--
作者：
Arulmozhi, P.;Vijayakumar, S.;Jayanthi, S.
锡兰山柑（Caparadaceae）是一种著名的传统药用植物，在印度草药医学中被广泛使用。它长期以来被用于治疗霍乱、偏瘫、肺炎、蠕虫和炎症活动。本研究旨在研究C. zeylanica叶提取物对病原微生物，与潜在的化合物的相互作用正在预测的计算方法。乙酸乙酯提取物。使用琼脂孔扩散法评价zeylanica对病原微生物（表皮葡萄球菌、粪肠球菌、副伤寒沙门氏菌、志贺氏菌、结核分枝杆菌和白色念珠菌）的抗微生物活性。采用乙酸乙酯萃取法对川楝子叶提取物进行了分离纯化。zeylanica进行GC-MS分析。使用Schrodinger软件进行计算研究以分析新化合物。采用不同浓度的乙酸乙酯提取物对香蒲叶片进行处理。对zeylanica进行了病原微生物检查。其中以副伤寒沙门氏菌的抑制作用最强。分子对接和ADME分析表明，（3E）-N-（3，4-二氯苯基）-3-（丙酰亚肼基）丁酰胺、十七烷酸和5-（3-氟苯基）-7-硝基-1，3-二氢-2H-1，4-苯并二氮杂卓-2-酮对微生物受体的适应度最高，特异性更强。
Capparis zeylanica Linn (Caparadaceae), a well-known traditional medicinal plant has been used prevalently in the Ayurvedic system of medicine. It has long been used in treating cholera, hemiplegia, pneumonia, helmintic and inflammatory activity. This study aims to investigate the antimicrobial activity of C. zeylanica leaf extracts against pathogenic microorganisms, with the interactions of potential compounds being predicted by a computational approach. Ethyl acetate leaf extracts of C. zeylanica were evaluated for antimicrobial activity using an agar well diffusion method against pathogenic microorganisms (Staphylococcus epidermidis, Enterococcus faecalis, Salmonella paratyphi, Shigella dysenteriae, Mycobacterium tuberculosis and Candida albicans). The ethyl acetate leaf extracts of the C. zeylanica were utilized for GC-MS analysis. Computational studies were performed to analyze the novel compound using Schrodinger software. The various concentrations of ethyl acetate leaf extract of C. zeylanica were checked against pathogenic microorganisms. Among them, Salmonella paratyphi shows the maximum inhibition. Molecular docking and ADME properties showed that (3E)-N-(3,4 Dichlorophenyl)-3-(Propionylhydrazono) butanamide, Heptadecanoic-Margaric acid and 5-(3-Fluorophenyl)-7-nitro-1,3-dihydro-2H-1,4-benzodiazepine-2-one had the highest fitness score and more specificity toward the microbial receptors.