荜茇的化学成分及其与单胺氧化酶A的分子对接研究
Research on the Chemical constituents of Piper longum L. and its molecular docking with monoamine oxidase A
投稿时间:2020-11-11  修订日期:2020-12-14
DOI:
中文关键词: 荜茇  化学成分  二聚酰胺  分子对接  单胺氧化酶A  抗抑郁
英文关键词: Piper longum  chemical constituents  dipolyamide  molecular docking  anti-depressants  monoamine oxidase A
基金项目:国家重点研发计划项目(2018YFC1708004) 湖北省重点研发计划项目(2020BGB004)
作者单位E-mail
刘新桥 中南民族大学药学院 lxqscuec@163.com 
宋炜 中南民族大学药学院  
袁桥玉 武汉职业技术学院生物工程学院  
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中文摘要:
      研究荜茇的化学成分并通过分子对接技术研究与单胺氧化酶A的结合活性。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该植物的氯仿层进行了分离纯化,通过1NMR和13CNMR等波谱技术进行结构鉴定;利用SYBYL软件对分离到的11个化合物与单胺氧化酶A进行对接,采用Discovery Studio软件分析相互作用力。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共4个化合物与单胺氧化酶有较好的结合活性。本研究可为发现新型抗抑郁药物提供参考。
英文摘要:
      to study the chemical constituents of Piper longum L. and its binding activity with monoamine oxidase A by molecular docking technology. The chloroform layer of the plant were 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,The structures of the constituents were identified by 1H NMR and 13C NMR; Sybyl software was used to dock the 11 compounds and monoamine oxidase A, the interaction force was analyzed by Discovery Studio software. 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-methy -lenedioxyphenyl)-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 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 activity with monoamine oxidase A. This study can provide a reference for the discovery of new anti-depressant drugs.
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