Computational pharmacological methods were used to study the distribution of 1729 compounds contained in a Chinese medicine,Qishen Yiqi Diwan,in chemical space.The results show that most of these compounds have good d...Computational pharmacological methods were used to study the distribution of 1729 compounds contained in a Chinese medicine,Qishen Yiqi Diwan,in chemical space.The results show that most of these compounds have good drug-like properties.Molecular docking was used to study the interactions between 1729 compounds of Qishen Yiqi Diwan and 26 drug targets related to cardiovascular disease and the distribution of 1729 compounds in drug-target space.The results may shed light on the action mechanism and the search for the active compounds in Qishen Yiqi Diwan.展开更多
基金Supported by National Key Special Project of Science and Technology for Innovation Drugs of China (Grant No. 2008ZX09401-006)
文摘Computational pharmacological methods were used to study the distribution of 1729 compounds contained in a Chinese medicine,Qishen Yiqi Diwan,in chemical space.The results show that most of these compounds have good drug-like properties.Molecular docking was used to study the interactions between 1729 compounds of Qishen Yiqi Diwan and 26 drug targets related to cardiovascular disease and the distribution of 1729 compounds in drug-target space.The results may shed light on the action mechanism and the search for the active compounds in Qishen Yiqi Diwan.
