Journal: Acta Pharmaceutica Sinica. B
Article Title: Gut microbiota mediates the absorption of FLZ, a new drug for Parkinson's disease treatment
doi: 10.1016/j.apsb.2021.01.009
Figure Lengend Snippet: CYP51 contributed to the conversion of FLZ to M1 in the gut microbiota. Molecular docking was performed by BIOVIA Discovery Studio Client software to study the binding activity of CYP51 to FLZ. (A) Molecular docking 3D diagram of FLZ and CYP51. (B) Molecular docking 2D diagram of FLZ and CYP51. The colonic contents were extracted from mice and then incubated with FLZ and Itraconazole or Voriconazole for 6 h. (C) The activity of CYP51 in gut microbiota. (D) The ratio of M1/FLZ in gut microbiota. Data are presented as mean ± SD ( n = 4 in each group). ∗ P < 0.05, ∗∗ P < 0.01, ∗∗∗ P < 0.001 vs. Control.
Article Snippet: BIOVIA Discovery Studio Client software (version 2016; Accelrys, Inc., San Diego, CA, USA) was employed to perform the molecular docking of FLZ onto the lanosterol 14-alpha-demethylase (CYP51, https://doi.org/10.2210/pdb5ESE/pdb ), and M1 onto the catechol O -methyltransferase (COMT, https://doi.org/10.2210/pdb4O0Q/pdb ).
Techniques: Software, Binding Assay, Activity Assay, Incubation, Control