English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

This research aimed to conduct an  in silico  study of compounds, mainly flavonoids, that are found in several plants, including the species of the  Chamaecrista  genus. The ADME properties, the drug-likeness score and properties of Lipinski and Veber rules of the molecules were determined using online databases. Based on the predicted properties, four flavonoids, apigenin, fisetin, luteolin and ononin were selected for molecular docking and dynamic simulations to study their interactions with DNA (PDB ID: 1BNA). The molecular docking showed that ononin has a high affinity for B-DNA, exhibiting a ΔG value of −9.3 kcal mol −1 , compared with the other flavonoids. The molecular dynamic simulations of the flavonoid–DNA complexes showed that the flavonoids interacted with DNA by hydrogen bonding, hydrophobic interaction and  π -stacking. The flavonoid ononin showed the best interaction energy value of −291.3490 kJ mol −1 , compared with the other flavonoids. Communicated by Ramaswamy H. Sarma

journal of biomolecular structure and dynamics

Virtual screening of flavonoids from  Chamaecrista  genus: ADME and pharmacokinetic properties, interactions of flavonoid–DNA complex by molecular docking and molecular dynamics