Differential interactions and structural stability of chitosan oligomers with human serum albumin and α-1-glycoprotein

Journal of Biomolecular Structure & Dynamics
Mahesh GokaraRajagopal Subramanyam

Abstract

Chitosan is a naturally occurring deacetylated derivative of chitin with versatile biological activities. Here, we studied the interaction of chitosan oligomers with low degree of polymerization such as chitosan monomer (CM), chitosan dimer (CD), and chitosan trimer (CT) with human serum albumin (HSA) a major blood carrier protein and α-1-glycoprotein (AGP). Since, HSA and AGP are the two important plasma proteins that determine the drug disposition and affect the fate of distribution of drugs. Fluorescence emission spectra indicated that CM, CD, and CT had binding constants of KCM = 6.2 ± .01 × 10(5) M(-1), KCD = 5.0 ± .01 × 10(4) M(-1), and KCT = 1.6 ± .01 × 10(6) M(-1), respectively, suggesting strong binding with HSA. However, binding of chitooligomers with AGP was insignificant. Thermodynamic and molecular docking analysis indicated that hydrogen bonds and also hydrophobic interaction played an important role in stabilizing the HSA-chitooligomer complexes with free energies of -7.87, -6.35, and -8.4 Kcal/mol for CM, CD, and CT, respectively. Further, circular dichroism studies indicated a minor unfolding of HSA secondary structure, upon interaction with chitooligomers, which are supported with fluctuations of root mean squ...Continue Reading

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Citations

Dec 24, 2013·Journal of Biomolecular Structure & Dynamics·Mahesh GokaraRajagopal Subramanyam
Jul 24, 2014·Journal of Biomolecular Structure & Dynamics·Daniel Pushparaju YeggoniRajagopal Subramanyam
Apr 26, 2016·Journal of Biomolecular Structure & Dynamics·Laxmi N JattinagoudarShivamurti A Chimatadar
Aug 24, 2016·Journal of Biomolecular Structure & Dynamics·Atmanand M BagojiSharanappa T Nandibewoor
Dec 4, 2016·Colloids and Surfaces. B, Biointerfaces·P ChanphaiH A Tajmir-Riahi
Apr 20, 2018·Journal of Biomolecular Structure & Dynamics·Mohammad Rehan AjmalRizwan Hasan Khan
Mar 5, 2019·Journal of Biomolecular Structure & Dynamics·Fatemeh Abyar, Leila Tabrizi
Aug 14, 2019·Journal of Biomolecular Structure & Dynamics·P ChanphaiH A Tajmir-Riahi
May 20, 2020·Journal of Biomolecular Structure & Dynamics·Qingyan ZhangLinFang Du
May 18, 2019·Journal of Biomolecular Structure & Dynamics·Shreya DubeyRajagopal Subramanyam
Jul 12, 2019·International Journal of Biological Macromolecules·P Chanphai, H A Tajmir-Riahi

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Methods Mentioned

BETA
Circular dichroism
X-ray
neutron scattering
in silico methods
fluorescence spectroscopy

Software Mentioned

OSCAR Linux
pymol
/ Builder
- II
Autodock
GROMACS4
discover studio
LIGPLOT
GROMOS96
CDNN

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