Kakarla Lavanya, Mathi Pardhasaradhi, Allu Prasada Rao, Rama Chakravarthy, Botlagunta Mahendran
Biomedical Research Laboratory, Department of Biotechnology, KLEF University (Koneru Lakshmaiah Education Foundation) Vaddeswaram, Guntur, Andhra Pradesh, India.
Bioinformation. 2014 Oct 30;10(10):637-46. doi: 10.6026/97320630010637. eCollection 2014.
Cyperus scariosus (R.Br) belongs to the family Cyperaceae and it has a diverse medicinal importance. To identify human cyclooxegenase-2 (COX-2) inhibitors from C. scariosus, the rhizome powder was exhaustively extracted with various solvents based on the increasing polarity. Based on the presence and absence of secondary metabolites, we have selected the methanolic extract to evaluate the anti-oxidant and anti-inflammatory activity. The same extract was further subjected to gas chromatography-mass spectroscopy (GC-MS) analysis to identify the active compounds. Binding affinities of these compounds towards anti-inflammatory protein COX-2 were analyzed using molecular docking interaction studies. Phytochemical analysis showed that methanol extract is positive for all secondary metabolites. The antioxidant activity of the C. scariosus rhizomes methanolic extract (CSRME) is half to that of ascorbic acid at 50 µg/ml. The anti-inflammatory activity of CSRME is higher than that of diclofenac sodium salt at high concentration, which is evident from the dose dependent inhibition of bovine serum albumin denaturation at 40 µg/ml-5 mg/ml. GC-MS analysis showed the presence of nine compounds, among all N-methyl-1-adamantaneacetamide and 1,5,diphenyl-2H-1,2,4- triazine form a hydrogen bond interactions with Ser-530 and Tyr-385 respectively and found similar interactions with crystal structure of diclofenac bound COX-2 protein. Benzene-1, 2-diol, 4-(4-bromo-3 chlorophenyl iminomethyl forms hydrogen bond interactions with Thr-199 and Thr-200 as similar to crystallized COX-2 protein with valdecoxib. Collectively our results suggest that CSRME contains medicinally important anti-inflammatory compounds and this justifies the use of this plant as a folklore medicine for preventing inflammation associated disorders.
香附子（Cyperus scariosus (R.Br)）属于莎草科，具有多种药用价值。为了从香附子中鉴定出人类环氧化酶-2（COX-2）抑制剂，基于极性递增，用各种溶剂对根茎粉末进行了彻底提取。根据次生代谢产物的有无，我们选择了甲醇提取物来评估其抗氧化和抗炎活性。对同一提取物进一步进行气相色谱-质谱联用（GC-MS）分析以鉴定活性化合物。使用分子对接相互作用研究分析了这些化合物与抗炎蛋白COX-2的结合亲和力。植物化学分析表明，甲醇提取物对所有次生代谢产物呈阳性反应。在50μg/ml时，香附子根茎甲醇提取物（CSRME）的抗氧化活性是抗坏血酸的一半。CSRME的抗炎活性在高浓度时高于双氯芬酸钠盐，这在40μg/ml - 5mg/ml时对牛血清白蛋白变性的剂量依赖性抑制中很明显。GC-MS分析显示存在九种化合物，在所有化合物中，N-甲基-1-金刚烷乙酰胺和1,5-二苯基-2H-1,2,4-三嗪分别与Ser-530和Tyr-385形成氢键相互作用，并且发现与双氯芬酸结合的COX-2蛋白的晶体结构有相似的相互作用。苯-1,2-二醇，4-(4-溴-3-氯苯基亚氨基甲基)与Thr-199和Thr-200形成氢键相互作用，类似于与伐地昔布结晶的COX-2蛋白。总体而言，我们的结果表明CSRME含有具有重要药用价值的抗炎化合物，这证明了将这种植物用作预防炎症相关疾病的民间药物的合理性。
