Supramolecular Systems as Protein Ligands

Rybarska, Janina; Piekarska, Barbara; Stopa, Barbara; Zemanek, Grzegorz; Konieczny, Leszek; Roterman, Irena

doi:10.1007/978-3-319-65639-7_1

Cited by 5 publications

(10 citation statements)

References 41 publications

(41 reference statements)

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“…One of them includes administering the drug in complex with a carrier, limiting its toxic effects and enabling rapid elimination of surplus drug molecules. Supramolecular systems—particularly those which form ribbonlike micelles (of which Congo red is an example)—are a promising lead in this respect [ 1 ].…”

Section: Introductionmentioning

confidence: 99%

Structure and Location of Protein Sites Binding Self-Associated Congo Red Molecules with Intercalated Drugs as Compact Ligands—Theoretical Studies

et al. 2021

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In the search for new carriers capable of transporting toxic drugs to a target, particular attention has been devoted to supramolecular systems with a ribbon-like micellar structure of which Congo red is an example. A special promise of the possible use of such systems for directing drugs to a target emerges from their particular affinity to immune complexes and as an independent property, binding many organic compounds including drugs by intercalation. Serum albumin also appeared able to bind micellar particles of such systems. It may protect them against dilution in transport. The mathematical tool, which relies on analysis of the distribution of polarity and hydrophobicity in protein molecules (fuzzy oil drop model), has been used to find the location of binding area in albumin as well as anchorage site for Congo red in heated IgG light chain used as a model presenting immunoglobulin-like structures. Results confirm the suggested formerly binding site of Congo red in V domain of IgG light chain and indicated the cleft between pseudo-symmetric domains of albumin as the area of attachment for the dye.

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Section: Introductionmentioning

confidence: 99%

Structure and Location of Protein Sites Binding Self-Associated Congo Red Molecules with Intercalated Drugs as Compact Ligands—Theoretical Studies

et al. 2021

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“…Polyaromatic molecules of an elongated shape and bearing appropriately located polar groups interact to form elongated supramolecular ribbon-like systems which are referred to as self-assembled ribbon-like structures—SRLS. They are a special type of self-assembled systems [ 13 ]. SRLS composed of self-assembled diazo dyes of the CR type were studied as the systems are able to interact with proteins with a partly or totally destabilized structure [ 14 , 15 ].…”

Section: Introductionmentioning

confidence: 99%

“…Partial destabilization occurs in native proteins and is related to the function the protein performs. For instance, it can be observed in antibodies after antigen binding [ 16 ] or in complement system proteins, e.g., C1q after their binding to antibodies complexed with antigen [ 17 ] or in enzymes after ligand binding [ 13 , 18 ]. CR was used only as a model because its properties as SRLS are well known.…”

Section: Introductionmentioning

confidence: 99%

Controlled Release of Doxorubicin from the Drug Delivery Formulation Composed of Single-Walled Carbon Nanotubes and Congo Red: A Molecular Dynamics Study and Dynamic Light Scattering Analysis

et al. 2020

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The controlled delivery and release of drug molecules at specific targets increases the therapeutic efficacy of treatment. This paper presents a triple complex which is a new potential drug delivery system. Triple complex contains single-walled carbon nanotubes, Congo red, and doxorubicin. Nanotubes are built of a folded graphene layer providing a large surface for binding Congo red via “face-to-face” stacking which markedly increases the binding capacity of the carrier. Congo red is a compound that self-associates to form supramolecular ribbon-like structures, which are able to bind some drugs by intercalation. The nanotube–Congo red complex can bind the model drug doxorubicin. Thus, a new triple carrier system was obtained. The aim of this paper is to present studies on the controlled release of a model anticancer drug from a triple carrier system through pH changes. The specific aim of the study was to model the structure of the obtained experimental systems and to compare the changes in the average energy of interaction between its components induced by pH changes. The studies also aimed to compare the intensity of pH-dependent changes in hydrodynamic diameters of individual components of the triple carrier system. The effect of pH changes on the stability of the analyzed systems was examined using the molecular modeling method and dynamic light scattering. The decrease in pH influenced the structure and stability of the analyzed triple systems and ensured efficient drug release. The changes in hydrodynamic diameters of the obtained fractions were examined with the use of dynamic light scattering and were confirmed by computer simulation methods. The formulation presented in this paper shows potential for a therapeutic application owing to its high drug binding capacity and pH-dependent release. This ensures prolonged local action of the drug. The results reveal that the studied complex fulfills the basic requirements for its potential use as drug carrier, thus reducing side effects and enhancing pharmacological efficacy of drugs.

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“…These properties enabled some supramolecular associates to form complexes with proteins, which in general are compounds that are unable to interact at sites other than the active site. 4 …”

Section: Introductionmentioning

confidence: 99%

“… 10 Such systems are an example of a new type of ligand for proteins to which they bind using a nonclassical mode of interaction. 4 An example is binding to antigen–antibody complexes while not binding to free antibodies. 11 This interaction is the basis for the use of such systems in immunotargeting.…”

Section: Introductionmentioning

confidence: 99%

Impact of Doxorubicin on Self-Organization of Congo Red: Quantum Chemical Calculations and Molecular Dynamics Simulations

et al. 2020

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Quantum-chemical calculations and molecular dynamics simulation were applied to a model self-organization process of Congo red (CR) molecules in aqueous solution and the impact of doxorubicin (DOX) molecules on such a process. It was demonstrated that both pure CR/CR and mixed CR/DOX dimers were stable. Van der Waals interactions between aromatic units were responsible for a stacked dimer formation. An important source of stabilization in the CR/CR dimer was the polarization energy. In the CR/DOX mixed dimer long range, electrostatic interactions were the main driving force leading to complexation. An implicit solvent model showed that the formation of the CR/CR dimer was favored over the CR/DOX one. Molecular dynamics simulations demonstrated rapid complexation. In the pure CR system, short sequences of ribbon-like structures were formed. Such structures might be glued by hydrogen bonds to form bigger complexes. It was shown that the aromatic part of the DOX molecule enters CR ribbons with the sugar part covering the CR ribbons. These findings demonstrated that CR may find applications as a carrier in delivering DOX molecules; however, further more extensive investigations are required.

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Supramolecular Systems as Protein Ligands

Cited by 5 publications

References 41 publications

Structure and Location of Protein Sites Binding Self-Associated Congo Red Molecules with Intercalated Drugs as Compact Ligands—Theoretical Studies

Structure and Location of Protein Sites Binding Self-Associated Congo Red Molecules with Intercalated Drugs as Compact Ligands—Theoretical Studies

Controlled Release of Doxorubicin from the Drug Delivery Formulation Composed of Single-Walled Carbon Nanotubes and Congo Red: A Molecular Dynamics Study and Dynamic Light Scattering Analysis

Impact of Doxorubicin on Self-Organization of Congo Red: Quantum Chemical Calculations and Molecular Dynamics Simulations

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