Molecular recognition of bio-active flavonoids quercetin and rutin by bovine hemoglobin: an overview of the binding mechanism, thermodynamics and structural aspects through multi-spectroscopic and molecular dynamics simulation studies

The binding of two bio-active flavonoids, quercetin and rutin, with bovine hemoglobin was investigated by multi-spectroscopic and computational studies

Sourav Das; Nikita Bora; Mostofa Ataur Rohman; Raju Sharma; Anupam Nath Jha; Atanu Singha Roy

2018

Scholarcy highlights

  • The binding of two bio-active flavonoids, quercetin and rutin, with bovine hemoglobin was investigated by multi-spectroscopic and computational studies
  • The two flavonoids were found to quench the intrinsic fluorescence of BHb through a static quenching mechanism
  • The binding constants at 288 K were observed to be × 104 M−1 and × 104 M−1, respectively for quercetin and rutin binding with BHb
  • Both rutin and quercetin were observed to increase the polarity around the Trp residues of BHb as indicated by synchronous and 3D spectral studies
  • Excellent correlations with the experimental studies were observed from the molecular docking and molecular dynamics simulation studies
  • Further investigations established that these flavonoids are efficient in the inhibition of glucose mediated glycation of BHb

Need more features? Save interactive summary cards to your Scholarcy Library.