Cucurbituril-Based Molecular Recognition

Barrow, Steven J.; Kasera, Setu; Rowland, Matthew; Barrio, Jesús del; Scherman, Oren A.

doi:10.1021/acs.chemrev.5b00341

Cited by 1,614 publications

(1,686 citation statements)

References 430 publications

(1,656 reference statements)

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“…The most significant difference between K a values derived from ITC and NMR/UV-Vis methods is for the NT@CB [7] complexes, where the K a from UV-Vis titration is approximately 7.8 fold of the value from ITC titration. To the best of our knowledge, the much difference in K a values is reasonable as binding constants may vary quite significantly if different methods are used [25]. Additionally, the binding constants varying from 10 3 to 10 5 in aqueous solutions seem to be comparable with those recently observed on other drug-CB [7] complexes [14,16,20,22], attesting the potential of these complexations in biomedical sciences.…”

Section: Itc Titration Studiessupporting

confidence: 67%

Molecular Encapsulation of Histamine H2-Receptor Antagonists by Cucurbit[7]Uril: An Experimental and Computational Study

et al. 2016

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Abstract:The histamine H 2 -receptor antagonists cimetidine, famotidine and nizatidine are individually encapsulated by macrocyclic cucurbit [7]uril (CB[7]), with binding affinities of 6.57 (±0.19) × 10 3 M −1 , 1.30 (±0.27) × 10 4 M −1 and 1.05 (±0.33) × 10 5 M −1 , respectively. These 1:1 host-guest inclusion complexes have been experimentally examined by 1 H-NMR, UV-visible spectroscopic titrations (including Job plots), electrospray ionization mass spectrometry (ESI-MS), and isothermal titration calorimetry (ITC), as well as theoretically by molecular dynamics (MD) computation. This study may provide important insights on the supramolecular formulation of H 2 -receptor antagonist drugs for potentially enhanced stability and controlled release based on different binding strengths of these host-guest complexes.

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Section: Itc Titration Studiessupporting

confidence: 67%

Molecular Encapsulation of Histamine H2-Receptor Antagonists by Cucurbit[7]Uril: An Experimental and Computational Study

et al. 2016

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“…78 The host-guest complexation is driven by noncovalent interactions. In contrast with covalent bonds, the dynamic nature of noncovalent interactions can impart the host-guest systems with the abilities to be reversible, degradable and adaptive.…”

Section: Host-guest Systems For Antimicrobialsmentioning

confidence: 99%

Antimicrobial cationic polymers: from structural design to functional control

Yang

Cai

Huang

et al. 2017

Polym J

212

174

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Antimicrobial cationic polymers mainly contain two functional components: the cationic groups and the hydrophobic groups. The antimicrobial activity is influenced by the type, amount, location and distribution of these two components. This review summarizes the designs and syntheses of antimicrobial cationic polymers by controlling the above two factors. It involves the structural designs from primary to secondary structures, from covalent to noncovalent syntheses and from bulk to surface. Furthermore, it will discuss how to advance structural designs toward functional controls for optimizing the antimicrobial performances and biocompatibility of antimicrobial cationic polymers. It is anticipated that this review will provide some guidelines for developing molecular engineering of antimicrobial cationic polymers with tailor-made structures and functions.

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“…The orifice edges, so-called portals, consist of carbonyl oxygen atoms. On account of the polar nitrogen groups present in the cucurbituril macromolecule cavity and polarized carbonyl groups of the portals [14], cucurbiturils can include smaller, positively charged ligands [15,16], forming supramolecular guest-host complex, i.e., ligand molecule-cucurbituril macromolecule. The seven-unit cucurbituril (Q7) can include smaller molecules of nucleic bases, their derivatives-nucleosides [17], making it possible to transfer the compound included through the cell membrane [18].…”

Section: Introductionmentioning

confidence: 99%

Calorimetric and spectroscopic investigations of interactions between cucurbituril Q7 and gemcitabine in aqueous solutions

Buczkowski

Stępniak

Urbaniak

et al. 2018

J Therm Anal Calorim

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Studies on the interactions between cucurbituril Q7 and gemcitabine (Gem) hydrochloride in water were carried out using isothermal titration calorimetry (ITC) and electrospray ionization-mass spectrometry (ESI-MS). According to ITC and ESI-MS, the formation of this complex occurs in both the solution containing excess gemcitabine and the solution containing excess cucurbituril Q7. ITC results confirm the formation of a thermodynamically stable supramolecular complex with stoichiometry 1:1. The inclusion mechanism of Gem inside the cucurbituril macromolecule is spontaneous (DG\0). This process is exothermic (DH\0) and is characterized by the loss of entropy (DS\0).

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Cucurbituril-Based Molecular Recognition

Cited by 1,614 publications

References 430 publications

Molecular Encapsulation of Histamine H2-Receptor Antagonists by Cucurbit[7]Uril: An Experimental and Computational Study

Molecular Encapsulation of Histamine H2-Receptor Antagonists by Cucurbit[7]Uril: An Experimental and Computational Study

Antimicrobial cationic polymers: from structural design to functional control

Calorimetric and spectroscopic investigations of interactions between cucurbituril Q7 and gemcitabine in aqueous solutions

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