[Study on honeysuckle active ingredients and comparative analysis on their interactive mechanisms with different proteins].
OBJECTIVE
To analyze and compare molecular mechanisms of active ingredients of honeysuckle (chlorogenic acid, CGA) with bovine lactoferrin (BLF) or bovine serum albumin (BSA).


METHODS
The spectral experiment and the computer analog technology were combined to determine the binding parameters, energy transfer parameters and thermodynamic functions between CGA and proteins, study the molecular mechanism, and compare the differences in interactive mechanism between CGA and BLF or BSA.


RESULTS
The interactive mechanism between CGA and BLF or BSA was a dynamic molecular mechanism, whereas the static quenching mechanism existed between the interaction of CGA and BSA, with differences in the bonding intensity due to difference temperature. The binding distance r between CGA and BLF/BSA was very short, indicating the phenomenon of energy transfer. The results of the molecular modeling showed that the main interaction force between CGA and BLF or BSA was hydrogen bonds, together with Van der Waals' forces and hydrophobic effect.


CONCLUSIONS
The computer analog shows consistent results with spectral experiment.
School of Engineering, Zhejiang Agriculture & Forestry University, Lin'an 311300, China. guoming@zafu.edu.cn
Ming
M
Guo
Min-Zhong
MZ
Zhan
Xiao-Wang
XW
Lu
Wen-Xiang
WX
Fan
D000042:Absorption; D000818:Animals; D002417:Cattle; D004365:Drugs, Chinese Herbal / Q000737:chemistry / Q000378:metabolism*; D006801:Humans; D057927:Hydrophobic and Hydrophilic Interactions; D007781:Lactoferrin / Q000737:chemistry / Q000378:metabolism*; D031239:Lonicera / Q000737:chemistry*; D008958:Models, Molecular; D011485:Protein Binding; D011487:Protein Conformation; D012710:Serum Albumin, Bovine / Q000737:chemistry / Q000378:metabolism*; D013816:Thermodynamics
D004365:Drugs, Chinese Herbal; D012710:Serum Albumin, Bovine; D007781:Lactoferrin