Yuhong Xiang

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The three-dimensional quantitative structure-activity relationship (3D-QSAR) has been studied on 90 hallucinogenic phenylalkylamines by the comparative molecular field analysis (CoMFA). Two conformations were compared during the modeling. Conformation I referred to the amino group close to ring position 6 and conformation II related to the amino group trans(More)
Endothelin-1 receptors (ETAR and ETBR) act as a pivotal regulator in the biological effects of ET-1 and represent a potential drug target for the treatment of multiple cardiovascular diseases. The purpose of the study is to discover dual ETA/ETB receptor antagonists from traditional Chinese herbs. Ligand- and structure-based virtual screening was performed(More)
One pharmacophore model and three quantitative structure-activity relationship models were developed on a series of benzimidazole and imidazole inhibitors of histone deacetylase 2. The goodness of hit score value of the best pharmacophore model was 0.756, which indicated that it is reliable to be used for virtual screening. The built pharmacophore model was(More)
The metabotropic glutamate subtype 1 (mGluR1), a member of the metabotropic glutamate receptors, is a therapeutic target for neurological disorders. However, due to the lower subtype selectivity of mGluR1 orthosteric compounds, a new targeted strategy, known as allosteric modulators research, is needed for the treatment of mGluR1-related diseases. Recently,(More)
— One three-dimensional quantitative structure–activity relationship (3D-QSAR) model and one three-dimensional quantitative structure-selectivity relationship (3D-QSSR) model using Topomer CoMFA method were implemented on benzimidazole and imidazole inhibitors of Histone deacetylase 2 (HDAC2). Good cross-validated correlations were obtained in 3D-QSAR model(More)
—Quantitative structure-activity relationship (QSAR) studies based on a data set of 88 phenylalkylamines has been implemented. These chemicals used are among the most widely abused hallucinogens especially for young people. Because of the difficulty of assaying hallucinogenic activities, it is particularly important to develop predictive models. In this(More)
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