… Docking studies … -activity relationship of flavonoid analogues L1-L10, L11-L20 and L21-L30
at the active site of urease, we performed molecular docking studies on representative …

… interaction and aromatic stacking interactions allows binding of flavonoids to PAS site [19].
In this study, a congeneric series of flavonoid analogues designed and evaluated by Li et al. …

… determine by molecular docking studies, the putative interaction of the most active flavonoid
quercetin with the active site of 11β-HSD1. The results showed that the best docking pose of …

… We performed molecular docking to assess the binding affinity of 29 flavonoid compounds
… Additionally, pharmacokinetic and toxicity characteristics of the top-ranked flavonoids were …

… Molecular docking In order to study deep mechanisms of five flavonoids 1, 5, 6, 9, and 11 …
, molecular docking was conducted by using our previous method [22]. As shown in Fig. 5, Fig. …

… molecular docking to compare the docked conformation of the reference ligand and to validate
the protein … Lower the RMSD value, greater the efficiency of docking. In our study, RMSD …

… Based on the structural scaffolds of natural products, two series of flavonoid derivatives, for a
… The molecular docking and molecular dynamics analyses binding to the human telomerase …

… Previously, our docking results showed that chloro‑substituted flavonoids possessing
potential to activate the Nrf2. It is therefore; new series of bromo‑substituted flavonoids were …

… Molecular docking is a method that is used to predict the preferred orientation of … Molecular
docking has been implemented to reveal the interaction between flavonoid compounds and …

… Docking simulations conducted by Molecular Operating Environment (MOE) of acylated
flavonoids … The data presented in this review suggests that these candidate acylated flavonoids …