Evaluation and Elucidation of Bioactive Compounds from Leptogium rivurale Through in-vitro and in-silico Studies

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Abstract

Leptoguium rivurale is a flooded jelly skin lichen, the surface of which becomes jelly when wet. It is a cyanolichen in which the photosynthetic partner is a cyanobacterium in the genus name Nostac. The present study was performed to investigate the bioactive constituents of Leptoguium rivurale. Samples were collected from forest regions of Kodaikanal. The collected Lichens were washed and dried and then extracted by using methanol and distilled water. Qualitative analysis of phytochemicals from the extracts showed the presence of carbohydrates, glycosides, phenols, terpenoids, saponins, and proteins. The amount of carbohydrates, phenols, and proteins was found to 350u/g and 380u/g, 200u/g, and 240u/g and 490u/g and 320u/g in aqueous and methanol extracts. The α-amylase enzyme inhibition assay ranged from 47.2% to 58.4% for methanol extract and from 35.12% to 51.1% for aqueous extract. The DPPH radical scavenging activity ranged from 27.6% to 49.8% for methanol extract and from 21.3% to 42.2% for aqueous extract. The anti-inflammatory activity ranged from 40.5% to 86.2% for methanol extract and from 49.4% to 79.2% for aqueous extract. Then the extract was given for GC-MS analysis. The molecules that were obtained in this analysis were used as ligands and in-silico molecular docking simulation was made using AutoDock software through which it was found that out of the docked ligands cyclohexanol and oxirane were the potential drug candidates.
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通过体外和计算机研究评价和阐明河钩藤生物活性化合物
Leptoguium rivurale是一种水淹果冻皮地衣,其表面潮湿时会变成果冻。它是一种蓝藻,其光合作用伙伴是一种蓝藻,属名Nostac。本研究旨在研究细钩藤的生物活性成分。样本采集自Kodaikanal森林地区。将收集到的地衣洗净干燥,用甲醇和蒸馏水提取。从提取物中提取的植物化学物质定性分析表明,化合物中含有碳水化合物、苷类、酚类、萜类、皂苷和蛋白质。水提液和甲醇提液中碳水化合物、酚类和蛋白质的含量分别为350u/g、380u/g、200u/g、240u/g、490u/g、320u/g。甲醇提取液α-淀粉酶抑制率为47.2% ~ 58.4%,水提液α-淀粉酶抑制率为35.12% ~ 51.1%。甲醇提取物对DPPH自由基的清除率为27.6% ~ 49.8%,水提物对DPPH自由基的清除率为21.3% ~ 42.2%。甲醇提取物的抗炎活性为40.5% ~ 86.2%,水提物的抗炎活性为49.4% ~ 79.2%。提取液进行GC-MS分析。将分析得到的分子作为配体,利用AutoDock软件进行硅内分子对接模拟,发现在对接的配体中,环己醇和氧环烷是潜在的候选药物。
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