Molecular simulation of the interaction between novel type rhodanine derivative probe and bovine serum albumin.
The interaction between 3-(4'-methylphenyl)-5-(4'-methyl-2'-sulfophenylazo) rhodanine (M4MRASP) and bovine serum albumin (BSA) was studied by using spectrofluorimetry. It was shown in fluorescence spectrums that the quenching mechanism of BSA by M4MRASP was a static quenching. Meanwhile, the binding constant and binding site numbers were calculated. The action distance (r=8.03 nm) and energy transfer efficiency (E=0.12) between donor (BSA) and acceptor (M4MRASP) were obtained according to the theory of Förster non-radiation energy transfer. The effect of M4MRASP on the conformation of BSA was further analyzed by using synchronous fluorescence spectrometry. A new model of the interaction between small organic molecule and biomacromolecule was established. The results offered a reference for the studies on the biological effects and action mechanism of small molecule with protein.
Yu
Jinghua
J
School of Chemistry and Chemical Engineering, University of Jinan, Jinan 250022, Shandong Province, People's Republic of China. labour001@163.com
Li
Bo
B
Dai
Ping
P
Ge
Shenguang
S
D000818:Animals; D001391:Azo Compounds / Q000737:chemistry / Q000378:metabolism / Q000494:pharmacology; D001665:Binding Sites; D002417:Cattle; D003198:Computer Simulation; D008954:Models, Biological; D008968:Molecular Conformation / Q000187:drug effects; D015335:Molecular Probes / Q000737:chemistry / Q000378:metabolism*; D011485:Protein Binding; D012236:Rhodanine / Q000031:analogs & derivatives / Q000737:chemistry* / Q000378:metabolism / Q000494:pharmacology; D012710:Serum Albumin, Bovine / Q000737:chemistry* / Q000378:metabolism*; D013050:Spectrometry, Fluorescence
C545080:3-(4'-methylphenyl)-5-(4'-methyl-2'-sulfophenylazo) rhodanine; D001391:Azo Compounds; D015335:Molecular Probes; D012710:Serum Albumin, Bovine; D012236:Rhodanine