Applications of isothermal titration calorimetry in protein folding and molecular recognition

2006 ◽  
Vol 3 (3) ◽  
pp. 209-219 ◽  
Author(s):  
Y. Liang
Keyword(s):  
Protein Folding ◽  
Molecular Recognition ◽  
Isothermal Titration Calorimetry ◽  
Titration Calorimetry

scholarly journals Modeling of Multivalent Ligand-Receptor Binding Measured by kinITC

Computation ◽  
2019 ◽  
Vol 7 (3) ◽  
pp. 46
Author(s):  
Franziska Erlekam ◽  
Sinaida Igde ◽  
Susanna Röblitz ◽  
Laura Hartmann ◽  
Marcus Weber
Keyword(s):  
Protein Folding ◽  
Kinetic Parameters ◽  
Invariant Subspace ◽  
Isothermal Titration Calorimetry ◽  
Receptor Binding ◽  
Kinetic Data ◽  
Titration Calorimetry ◽  
Subspace Projection ◽  
Binding Process ◽  
Sequential Binding

In addition to the conventional Isothermal Titration Calorimetry (ITC), kinetic ITC (kinITC) not only gains thermodynamic information, but also kinetic data from a biochemical binding process. Moreover, kinITC gives insights into reactions consisting of two separate kinetic steps, such as protein folding or sequential binding processes. The ITC method alone cannot deliver kinetic parameters, especially not for multivalent bindings. This paper describes how to solve the problem using kinITC and an invariant subspace projection. The algorithm is tested for multivalent systems with different valencies.

scholarly journals Evaluation of the stability of cucurbit[8]uril-based ternary host−guest complexation in physiological environment and the fabrication of a supramolecular theranostic nanomedicine

2021 ◽  
Vol 19 (1) ◽  
Author(s):  
Han Wu ◽  
Zuobing Chen ◽  
Shaolong Qi ◽  
Bing Bai ◽  
Jiajun Ye ◽  
...  
Keyword(s):  
Molecular Recognition ◽  
Isothermal Titration Calorimetry ◽  
Disease Diagnosis ◽  
Titration Calorimetry ◽  
Resonance Spectroscopy ◽  
Diagnosis And Therapy ◽  
Vis Spectroscopy ◽  
Non Covalent Interactions ◽  
The Stability ◽  
Covalent Interactions

Abstract Background Supramolecular theranostics have exhibited promising potentials in disease diagnosis and therapy by taking advantages of the dynamic and reversible nature of non-covalent interactions. It is extremely important to figure out the stability of the driving forces in physiological environment for the preparation of theranostic systems. Methods The host−guest complexation between cucurbit[8]uril (CB[8]), 4,4′-bipyridinium, and napththyl guest was fully studied using various characterizations, including nuclear magnetic resonance spectroscopy, ultraviolet–visible (UV–vis) spectroscopy, isothermal titration calorimetry (ITC). The association constants of this ternary complex were determined using isothermal titration calorimetry. The stability of the non-covalent interactions and self-assemblies form from this molecular recognition was confirmed by UV–vis spectroscopy and dynamic light scattering (DLS). A supramolecular nanomedicine was constructed on the basis of this 1:1:1 ternary recognition, and its in vitro and in vivo anticancer efficacy were thoroughly evaluated. Positron emission tomography (PET) imaging was used to monitor the delivery and biodistribution of the supramolecular nanomedicine. Results Various experiments confirmed that the ternary complexation between 4,4′-bipyridinium, and napththyl derivative and CB[8] was stable in physiological environment, including phosphate buffered solution and cell culture medium. Supramolecular nanomedicine (SNM@DOX) encapsulating a neutral anticancer drug (doxrubincin, DOX) was prepared based on this molecular recognition that linked the hydrophobic poly(ε-caprolactone) chain and hydrophilic polyethylene glycol segment. The non-covalent interactions guaranteed the stability of SNM@DOX during blood circulation and promoted its tumor accumulation by taking advantage of the enhanced permeability and retention effect, thus greatly improving the anti-tumor efficacy as compared with the free drug. Conclusion Arising from the host-enhanced charge-transfer interactions, the CB[8]-based ternary recognition was stable enough in physiological environment, which was suitable for the fabrication of supramolecular nanotheranostics showing promising potentials in precise cancer diagnosis and therapy. Graphic Abstract

scholarly journals Evaluation of the stability of cucurbit[8]uril-based ternary host−guest complexation in physiological environment and the fabrication of a supramolecular theranostic nanomedicine

2021 ◽  
Author(s):  
Han Wu ◽  
Zuobing Chen ◽  
Shaolong Qi ◽  
Bing Bai ◽  
Jiajun Ye ◽  
...  
Keyword(s):  
Molecular Recognition ◽  
Isothermal Titration Calorimetry ◽  
Titration Calorimetry ◽  
Resonance Spectroscopy ◽  
Vis Spectroscopy ◽  
Non Covalent Interactions ◽  
The Stability ◽  
Covalent Interactions

Abstract PurposeTo evaluate the stability of cucurbit[8]uril-based 1:1:1 ternary host−guest complexation in physiological environment for the fabrication of supramolecular theranostics with promising potentials in precise cancer imaging and therapy. MethodsThe host−guest complexation between cucurbit[8]uril (CB[8]), 4,4′-bipyridinium, and napththyl guest was fully studied using various characterizations, including nuclear magnetic resonance spectroscopy ( 1 H NMR), ultraviolet-visible (UV-vis) spectroscopy, isothermal titration calorimetry (ITC). The association constants of this ternary complex were determined using isothermal titration calorimetry. The stability of the non-covalent interactions and self-assemblies form from this molecular recognition was confirmed by UV-vis spectroscopy and dynamic light scattering (DLS). A supramolecular nanomedicine was constructed on the basis of this 1:1:1 ternary recognition, and its in vitro and in vivo anticancer efficacy were thoroughly evaluated. Positron emission tomography (PET) imaging was used to monitor the delivery and biodistribution of the supramolecular nanomedicine. ResultsVarious experiments confirmed that the ternary complexation between 4,4′-bipyridinium, and napththyl derivative and CB[8] was stable in physiological environment, including phosphate buffered solution and cell culture medium. Supramolecular nanomedicine (SNM@DOX) encapsulating a neutral anticancer drug (doxrubincin, DOX) was prepared based on this molecular recognition that linked the hydrophobic poly(ε-caprolactone) chain and hydrophilic polyethylene glycol segment. The non-covalent interactions guaranteed the stability of SNM@DOX during blood circulation and promoted its tumor accumulation by taking advantage of the enhanced permeability and retention effect, thus greatly improving the anti-tumor efficacy as compared with the free drug. ConclusionArising from the host-enhanced charge-transfer interactions, the CB[8]-based ternary recognition was stable enough in physiological environment, which was suitable for the fabrication of supramolecular nanotheranostics showing promising potentials in precise cancer diagnosis and therapy.

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