荜茇的化学成分及其与单胺氧化酶A的分子对接研究  

The chemical constituents of Piper longum L.and its molecular docking with monoamine oxidase A

作　　者：刘新桥[1] 宋炜 袁桥玉[2] 唐丽杰 LIU Xinqiao;SONG Wei;YUAN Qiaoyu;TANG Lijie(College of Pharmacy,South-Central University for Nationalities,Wuhan 430074,China;School of Bioengineering,Wuhan Polytechnic,Wuhan 430074,China)

机构地区：[1]中南民族大学药学院,武汉430074 [2]武汉职业技术学院生物工程学院,武汉430074

出　　处：《中南民族大学学报（自然科学版）》2021年第6期586-591,共6页Journal of South-Central University for Nationalities：Natural Science Edition

基　　金：国家重点研发计划项目(2018YFC1708004);湖北省重点研发计划项目(2020BGB004)。

摘　　要：采用溶剂提取法,正、反相硅胶柱层析法,葡聚糖凝胶LH-20,半制备高效液相色谱法对荜茇的氯仿层进行了分离纯化;利用SYBYL软件对分离得到的化合物与单胺氧化酶A进行了对接.结果从氯仿提取物中分离得到了11个化合物,分别鉴定为荜茇宁(1)、胡椒碱(2)、1-[1-Oxo-9(3,4-methylenedioxyphenyl)-2E,4E,8E-nonatrienyl]-pyrrolidine(3)、荜茇环碱(4)、piperolein B(5)、dipiperamide G(6)、芝麻素(7)、辛夷脂素(8)、连翘脂素(9)、愈创醇(10)、苯甲酸(11);其中化合物3、6、9、10、11为首次从该植物中分离得到,化合物6为二聚酰胺类型的生物碱,是从该植物中首次分离得到该类型的生物碱;分子对接结果表明荜茇宁、1-[1-Oxo-9(3,4-methylenedioxyphenyl)-2E,4E,8E-nonatrienyl]-pyrrolidine、荜茇环碱和piperolein B这4个化合物与抑郁症发生密切相关的靶点单胺氧化酶有较好的结合活性.The chloroform layer of Piper longum L.was isolated and purified by solvent extraction method,the normal and reverse phase silica gel column chromatography,Sephadex LH-20 and semi-preparative high performance liquid chromatography.Sybyl software was used to dock compounds and monoamine oxidase A.The results indicated that eleven compounds were isolated from the chloroform extract and identified as piperlonguminine(1),piperine(2),1-[1-Oxo-9(3,4-methylenedioxyphenyl)-2E,4E,8E-nonatrienyl]-pyrrolidine(3),pipernonaline(4),piperolein B(5),dipiperamideG(6),sesamin(7),fargesin(8),sylvatesmin(9),guaiol(10),benzoic acid(11).The compounds 3,6,9,10,11 were isolated for the first time from this plant.The compound 6 is a kind of dipolyamide alkaloid,this kind of polyamide alkaloid was isolated for the first time from this plant.The results of molecular docking showed that piperlonguminine,1-[1-Oxo-9(3,4-methylenedioxyphenyl)-2E,4E,8E-nonatrienyl]-pyrrolidine,pipernonaline and piperolein B have good binding activities with monoamine oxidase A.This study can provide a reference for the discovery of new anti-depressant drugs.

关 键 词：荜茇 化学成分 二聚酰胺 分子对接 单胺氧化酶A 抗抑郁 

分 类 号：R3556[医药卫生—基础医学]