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Investigation for the interaction of tyramine based anthraquinone analogue with Human Serum Albumin by optical spectroscopic technique.


Chem Biol Drug Des. 2012 Oct 15;


Authors: Aggrawal S, Tiwari AK, Srivastava P, Chadha N, Kumar V, Singh G, Mishra AK


Abstract

  A newly synthesized anthraquinone derivative 'N-(2-methylanthraquinone)-4-(2-aminoethyl) phenol' (Tyan) has been characterized as a fluorophore from photophysical analysis by measuring the UV-Vis absorptive (λ(ex) = 325 nm) and fluorescence emitive (λ(em) = 660 nm) values. DFT additionally supported the spectroscopic data by modulation of HOMO rather than LUMO due to the affect of tyramine moiety present in Tyan. The pharmacological importance of Tyan has been evaluated by molecular docking with Human Serum Albumin, HSA. The molecular docking of the Tyan was done with the crystal structure of HSA (PDB entry 1E78) which shows binding in the all the 3 domains of HSA corresponding to -7.74 as the Gscore. Moreover, the interactions of Human Serum Albumin (HSA) with Tyan were assessed employing fluorescence spectroscopy under simulative physiological conditions and the binding constant for the interaction at 25 °C was found to be 0.6 x 10(3) M(-1) . © 2012 John Wiley & Sons A/S.

PMID: 23066825 [PubMed - as supplied by publisher]