Potential synergism and inhibitors to multiple target enzymes of Xuefu Zhuyu Decoction in cardiac disease therapeutics: A comoutational approach
In order to study the drug-like features of Xuefu Zhuyu Decoction (XFZYD), a Traditional Chinese Medicinal recipe, three different computational methods were introduced to characterize the molecules in XFZYD, including chemical space distri-bution, docking protocol, and ADME prediction. Chemical space compared between the compound sets from XFZYD and drug/drug-like shows XFZYD may have desired interaction with broader protein targets. And the docking results show that the XFZYD is a broad-spectrum recipe inhibiting many important target enzymes. Together with the predictions of ADME properties, clue of potential synergism of XFZYD was obtained.
Traditional Chinese Herbs (TCHs): Xuefu Zhuyu Decoc tion (XFZYD): Chemical space Virtual screening: ADME prediction Medicinal chemistry
Qin Huang Xuebin Qiao Xiaojie Xu
Peking University, Colloge Chemistry & Molecular Engineering, Beijing 100871, PR China
国际会议
广州
英文
354-358
2008-11-01（万方平台首次上网日期，不代表论文的发表时间）