Journal of Herbal Medicine ( IF 2.2 ) Pub Date : 2021-02-04 , DOI: 10.1016/j.hermed.2021.100431 Ovgu Celikler Ozer , Ilkay Erdogan Orhan , Burcu Çalışkan , F. Sezer Senol Deniz , Alper Gokbulut , Tugçe Gur Maz , Ayhan Aysal , Esra Emerce , Suhaib Shekfeh , Ahmet Kahraman , Erden Banoglu
In the current work, the ethanol extracts of (36 samples from various locations) 21 species of Geranium were investigated for their tyrosinase (TYR) inhibitory and antioxidant activity. G. glaberrimum (GG) (31.41 ± 1.11 %), G. macrostylum (31.15 ± 1.35 %), and G. lasiopus (30.01 ± 0.09 %) had the highest inhibition against TYR, which were proceeded to further phytochemical analyses. The major compounds were gallic and ellagic acids. G. glaberrimum Boiss. & Heldr. were further fractioned by preparative-LC, in which the second fraction (GG-2) resulted in the highest inhibition, which was analyzed by LC–MS-MS. Geraniin and corilagin in GG-2 and quinic acid, gallic acid, 3,4-dihydroxy benzoic acid, 4-O-methyl gallate, geraniin, corilagin, ellagic acid, and quercetin were shown to be present in GG-EtOH extract. Quercetin (IC50 = 54.11 ± 1.92 μg/mL) was the most active inhibitor. Molecular interactions of the compounds with TYR were examined. Structure-activity relationship was achieved by PASS and Swiss Target Prediction programs. Ellagic acid and quercetin also displayed good molecular connections with the active site of TYR through π-π interactions and binding with two Cu atoms at the center of the enzyme. Thus, these two compounds appeared to be the most promising TYR inhibitors approved by both in vitro and in silico results.
中文翻译:
探索天竺葵的抗酪氨酸酶作用。&Heldr。采用计算机方法并调查了21种天竺葵
在当前的工作中,研究了21种天竺葵的乙醇提取物(来自不同位置的36个样品)的酪氨酸酶(TYR)抑制和抗氧化活性。G. glaberrimum(GG)(31.41±1.11%),G。macrostylum(31.15±1.35%)和Lasiopus(30.01±0.09%)对TYR的抑制作用最高,然后进行进一步的植物化学分析。主要化合物是没食子酸和鞣花酸。G. glaberrimum布斯 &Heldr。用制备型液相色谱进一步分离,其中第二个馏分(GG-2)产生最高的抑制作用,用LC-MS-MS分析。GG-EtOH提取物中存在GG-2和奎宁酸,没食子酸,3,4-二羟基苯甲酸,4-O-甲基没食子酸酯,香叶素,corilagin,鞣花酸和槲皮素中的香叶素和角蛋白。槲皮素(IC 50= 54.11±1.92μg/ mL)是最活跃的抑制剂。检查了化合物与TYR的分子相互作用。构效关系是通过PASS和Swiss Target Prediction程序实现的。鞣花酸和槲皮素还通过π-π相互作用并与酶中心的两个Cu原子结合,与TYR的活性位点显示出良好的分子连接。因此,这两种化合物似乎是最有希望的TYR抑制剂,在体外和计算机模拟结果中都得到了认可。