title: Investigation of the binding between pepsin and nucleoside analogs by spectroscopy and molecular simulation.
abstract: In this paper, the interactions of pepsin with CYD (cytidine) or nucleoside analogs, including FNC (2'-deoxy-2'-β-fluoro-4'-azidocytidine) and CMP (cytidine monophosphate), were investigated by fluorescence, UV-visible absorption and synchronous fluorescence spectroscopy under mimic physiological conditions. The results indicated that FNC (CYD/CMP) caused the fluorescence quenching by the formation of complex. The binding constants and thermo-dynamic parameters at three different temperatures were obtained. The hydrophobic and electrostatic interactions were the predominant intermolecular forces to stabilize the complex. The F atom in FNC might weaken the binding of nucleoside analog to pepsin. Results showed that CYD was the strongest quencher and bound to pepsin with higher affinity.
authors.affiliation: College of Chemistry and Molecular Engineering, Zhengzhou University, 100 Science Avenue, Zhengzhou, 450001, China.
authors.forename: Zhen
authors.initials: Z
authors.lastname: Li
authors.forename: Zhigang
authors.initials: Z
authors.lastname: Li
authors.forename: Lingling
authors.initials: L
authors.lastname: Yang
authors.forename: Yuanzhe
authors.initials: Y
authors.lastname: Xie
authors.forename: Jie
authors.initials: J
authors.lastname: Shi
authors.forename: Ruiyong
authors.initials: R
authors.lastname: Wang
authors.forename: Junbiao
authors.initials: J
authors.lastname: Chang
mesh_terms: D001386:Azides / Q000737:chemistry / Q000378:metabolism*; D003841:Deoxycytidine / Q000031:analogs & derivatives* / Q000737:chemistry / Q000378:metabolism; D004735:Energy Transfer; D062105:Molecular Docking Simulation; D010434:Pepsin A / Q000737:chemistry / Q000378:metabolism*; D011485:Protein Binding; D011487:Protein Conformation; D013050:Spectrometry, Fluorescence; D013056:Spectrophotometry, Ultraviolet; D013696:Temperature
chemical_list: D001386:Azides; D003841:Deoxycytidine; D010434:Pepsin A; C540945:azvudine