quinine and senecionine

quinine has been researched along with senecionine* in 1 studies

Other Studies

1 other study(ies) available for quinine and senecionine

Article	Year
Modeling K(m) values using electrotopological state: substrates for cytochrome P450 3A4-mediated metabolism. Bioorganic & medicinal chemistry letters, 2005, Sep-15, Volume: 15, Issue:18 In order to determine K(m) values of substrates for CYP3A4-mediated metabolism, an in silico model has been developed in the present work. Using electrotopological state (E-state) indices, together with Bayesian-regularized neural network (BRNN), we have described an in silico method to model log(1/K(m)) values of various substrates. The relative importance of the E-state indices is analyzed by principal component analysis. By using an additional external test set, which is independent of the training set, the robustness and predictivity of the model are also validated. Topics: Computational Biology; Cyclohexanols; Cytochrome P-450 CYP3A; Cytochrome P-450 Enzyme System; Molecular Structure; Principal Component Analysis; Pyrrolizidine Alkaloids; Quantitative Structure-Activity Relationship; Reproducibility of Results; Substrate Specificity; Venlafaxine Hydrochloride	2005

Article

Year

Modeling K(m) values using electrotopological state: substrates for cytochrome P450 3A4-mediated metabolism.

Bioorganic & medicinal chemistry letters, 2005, Sep-15, Volume: 15, Issue:18

In order to determine K(m) values of substrates for CYP3A4-mediated metabolism, an in silico model has been developed in the present work. Using electrotopological state (E-state) indices, together with Bayesian-regularized neural network (BRNN), we have described an in silico method to model log(1/K(m)) values of various substrates. The relative importance of the E-state indices is analyzed by principal component analysis. By using an additional external test set, which is independent of the training set, the robustness and predictivity of the model are also validated.

Topics: Computational Biology; Cyclohexanols; Cytochrome P-450 CYP3A; Cytochrome P-450 Enzyme System; Molecular Structure; Principal Component Analysis; Pyrrolizidine Alkaloids; Quantitative Structure-Activity Relationship; Reproducibility of Results; Substrate Specificity; Venlafaxine Hydrochloride

2005