The molecular basis for the inhibition of human cytochrome P450 1A2 by oroxylin and wogonin

Isoform-selective inhibition of chrysin towards human cytochrome P450 1A2. Kinetics analysis, molecular docking, and molecular dynamics simulations

(2010) Lin He et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Binding of curcumin with glyoxalase I: Molecular docking, molecular dynamics simulations, and kinetics analysis

(2009) Ming Liu et al.   BIOPHYSICAL CHEMISTRY

Synthesis and biological evaluation of novel 8-aminomethylated oroxylin A analogues as α-glucosidase inhibitors

(2008) T. Hari Babu et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

New therapeutic aspects of flavones: The anticancer properties of Scutellaria and its main active constituents Wogonin, Baicalein and Baicalin

(2008) Min Li-Weber   CANCER TREATMENT REVIEWS

Mechanism of CYP2C9 Inhibition by Flavones and Flavonols

(2008) D. Si et al.   DRUG METABOLISM AND DISPOSITION

Studies of the Mechanism of Selectivity of Protein Tyrosine Phosphatase 1B (PTP1B) Bidentate Inhibitors Using Molecular Dynamics Simulations and Free Energy Calculations

(2008) Lei Fang et al.   Journal of Chemical Information and Modeling

The generalized Born/volume integral implicit solvent model: Estimation of the free energy of hydration using London dispersion instead of atomic surface area

(2008) Paul Labute   JOURNAL OF COMPUTATIONAL CHEMISTRY

Structure–Activity Studies on Splitomicin Derivatives as Sirtuin Inhibitors and Computational Prediction of Binding Mode

(2008) Robert C. Neugebauer et al.   JOURNAL OF MEDICINAL CHEMISTRY

Insights into Ligand Selectivity in Estrogen Receptor Isoforms:  Molecular Dynamics Simulations and Binding Free Energy Calculations

(2008) Juan Zeng et al.   JOURNAL OF PHYSICAL CHEMISTRY B