Department of Botany and Microbiology, Gurukula Kangri (Deemed to be University), Haridwar, 249404, India.
Arch Microbiol. 2021 Jul;203(5):2501-2510. doi: 10.1007/s00203-021-02209-6. Epub 2021 Mar 7.
The methanol extract of Camellia sinensis (MES) and acetone extract of Camellia assamica (AEA) were subjected to the thin layer chromatography to separate the bioactive compounds. The antimicrobial activity of all the fractions was carried out against pathogenic microorganisms by the agar-well diffusion method. The most effective bioactive fraction of each plant species was analysed by GC-MS. Fraction L of methanol extract of C. sinensis (MES) and fraction 5 of acetone extract of C. assamica (AEA) were found very effective against selected pathogenic strains. GC-MS analysis of this fraction showed the presence of n-heptadecanol-1 (68.63%) in MES and 2',6'dihydroxyacetophenone, bis(trimethylsilyl) (17.58%) in AEA with the highest area. The compounds n-heptadecanol-1 and 2',6'dihydroxyacetophenone, bis(trimethylsilyl) ether were used for docking to analyse its therapeutic potential. The ligand compound n-heptadecanol-1 (HEP) from MES of C. sinensis and 2',6'dihydroxyacetophenone, bis(trimethylsilyl) ether from AEA of C. assamica were docked with the target protein dihydropteoate synthase (DHPS) active sites of Escherichia coli and Staphylococcus aureus active sites via Auto Dock Vina, thereby forecasting the finest binding position of ligands. AutoDock Vina docked results revealed the involvement of binding energy for the establishment of the protein-ligand structure complex, besides generating an interpretation of all apparent molecular interactions accountable for its activity. Further, the protein-ligand complex of MES, EcDHPS + HEP and SaDHPS + HEP exhibiting the best binding affinity were - 4.8 kcal/mol and - 3.6 kcal/mol. The protein-ligand complex of AEA, i.e., EcDHPS + DHA and SaDHPS + DHA exhibited the best binding affinity of - 4.8 kcal/mol and - 4.8 kcal/mol.
茶多酚（MES）和阿萨姆茶丙酮提取物（AEA）经薄层色谱分离出生物活性化合物。采用琼脂扩散法对所有馏分的抗菌活性进行了研究。用 GC-MS 对每种植物的最有效生物活性馏分进行了分析。发现来自绿茶甲醇提取物（MES）的馏分 L 和来自阿萨姆茶丙酮提取物（AEA）的馏分 5 对选定的致病菌株非常有效。该馏分的 GC-MS 分析表明，MES 中存在正十七烷醇-1（68.63%），AEA 中存在 2',6'-二羟基苯乙酮，双（三甲基硅基）（17.58%），面积最高。正十七烷醇-1 和 2',6'-二羟基苯乙酮，双（三甲基硅基）醚这两种化合物被用于对接分析其治疗潜力。绿茶 MES 中的配体化合物正十七烷醇-1（HEP）和阿萨姆茶 AEA 中的 2',6'-二羟基苯乙酮，双（三甲基硅基）醚与大肠杆菌和金黄色葡萄球菌的二氢喋啶合成酶（DHPS）活性部位靶蛋白通过 Auto Dock Vina 对接，从而预测了配体的最佳结合位置。AutoDock Vina 对接结果表明，结合能参与了蛋白质-配体结构复合物的建立，同时产生了对其活性负责的所有明显分子相互作用的解释。此外，MES 的蛋白-配体复合物 EcDHPS+HEP 和 SaDHPS+HEP 表现出最佳的结合亲和力分别为-4.8 kcal/mol 和-3.6 kcal/mol。AEA 的蛋白-配体复合物 EcDHPS+DHA 和 SaDHPS+DHA 表现出最佳的结合亲和力分别为-4.8 kcal/mol 和-4.8 kcal/mol。
