title: Pharmacodynamics and potential synergistic effects of Mai-Luo-Ning injection on cardiovascular protection, based on molecular docking.
abstract: As a computer-assisted approach, molecular docking has been universally applied in drug research and development and plays an important role in the investigation and evaluation of herbal medicines. Herein, the method was used to estimate the pharmacodynamics of Mai-Luo-Ning injection, a traditional Chinese compound herbal prescription. Through investigating the interactions between several important proteins in cardiovascular system and characteristic components of the formula, its effect on cardiovascular protection was evaluated. Results showed the differences in the interactions between each component and the selected target proteins and revealed the possible mechanisms for synergistic effects of various characteristic components on cardiovascular protection. The study provided scientific evidence supporting the mechanistic study of the interactions among multi-components and targets, offering a general approach to investigating the pharmacodynamics of complicated materials in compound herbal prescriptions.
authors.affiliation: State Key Laboratory of Natural Medicines, Key Lab of Drug Metabolism and Pharmacokinetics, China Pharmaceutical University, Nanjing 210009, China; School of Pharmacy, Nanjing University of Chinese Medicine, Nanjing 210023, China.
authors.forename: Liang
authors.initials: L
authors.lastname: Wu
authors.affiliation: State Key Laboratory of Natural Medicines, Key Lab of Drug Metabolism and Pharmacokinetics, China Pharmaceutical University, Nanjing 210009, China.
authors.forename: Han-Yuan
authors.initials: HY
authors.lastname: Shen
authors.affiliation: State Key Laboratory of Natural Medicines, Key Lab of Drug Metabolism and Pharmacokinetics, China Pharmaceutical University, Nanjing 210009, China.
authors.forename: Yu-Zheng
authors.initials: YZ
authors.lastname: Wu
authors.affiliation: State Key Laboratory of Natural Medicines, Key Lab of Drug Metabolism and Pharmacokinetics, China Pharmaceutical University, Nanjing 210009, China.
authors.forename: Xiao-Yi
authors.initials: XY
authors.lastname: Yu
authors.affiliation: State Key Laboratory of Natural Medicines, Key Lab of Drug Metabolism and Pharmacokinetics, China Pharmaceutical University, Nanjing 210009, China.
authors.forename: Hong
authors.initials: H
authors.lastname: Wang
authors.affiliation: State Key Laboratory of Natural Medicines, Key Lab of Drug Metabolism and Pharmacokinetics, China Pharmaceutical University, Nanjing 210009, China.
authors.forename: Xue-Fang
authors.initials: XF
authors.lastname: Cheng
authors.affiliation: State Key Laboratory of Natural Medicines, Key Lab of Drug Metabolism and Pharmacokinetics, China Pharmaceutical University, Nanjing 210009, China. Electronic address: guangjiwang@hotmail.com.
authors.forename: Guang-Ji
authors.initials: GJ
authors.lastname: Wang
authors.affiliation: State Key Laboratory of Natural Medicines, Key Lab of Drug Metabolism and Pharmacokinetics, China Pharmaceutical University, Nanjing 210009, China. Electronic address: hhp_770505@yahoo.com.cn.
authors.forename: Hai-Ping
authors.initials: HP
authors.lastname: Hao
mesh_terms: D002317:Cardiovascular Agents / Q000494:pharmacology*; D002319:Cardiovascular System / Q000187:drug effects* / Q000378:metabolism; D004357:Drug Synergism; D004365:Drugs, Chinese Herbal / Q000494:pharmacology*; D004798:Enzymes / Q000378:metabolism; D006801:Humans; D062105:Molecular Docking Simulation
chemical_list: D002317:Cardiovascular Agents; D004365:Drugs, Chinese Herbal; D004798:Enzymes
keywords: Compound herbal prescription; Mai-Luo-Ning injection; Molecular docking; Multiple-components and targets; Pharmacodynamics