Abstract:In the present work, a combination of binding studies and molecular docking were employed to demonstrate drug encapsulation and host-guest chemistry in self-assembled micelles consisting of amphiphilic terpolymers. The terpolymer is composed of poly(3-sulfopropyl methacrylate), as the hydrophilic component, poly(n-dodecyl acrylate), as the hydrophobic component and poly(barbiturate receptor), as the component for drug recognition. The combined approach was tested on four model compounds from the family of barb… Show more
“…Incorporation of a specific receptor into a polymer backbone was demonstrated by Loizidou and co-workers wherein a barbiturate receptor was designed and synthesized ( figure 10 a ) [ 77 ]. Barbiturates are central nervous system depressants and exhibit both hydrogen-bond donor (amine) and acceptor (carbonyl) sites, depending on the specific barbiturate molecule ( figure 10 b ).…”
Section: Recognition Of Small Molecules By Polymer Materialsmentioning
confidence: 99%
“…The recognition ability of the polymer was tested in aqueous solutions of four barbiturates that comprise different numbers of hydrogen-bonding sites. Binding constants ranging from 10 2 to 10 5 M −1 were realized in solution, and computational studies revealed that a combination of hydrogen bonding and binding geometry contribute to the recognition ( figure 10 c ) [ 77 ]. Figure 10.…”
Section: Recognition Of Small Molecules By Polymer Materialsmentioning
The design, synthesis and property characterization of new functional materials has garnered interest in a variety of fields. Materials that are capable of recognizing and binding with small molecules have applications in sensing, sequestration, delivery and property modification. Specifically, recognition of pharmaceutical compounds is of interest in each of the aforementioned application areas. Numerous pharmaceutical compounds comprise functional groups that are capable of engaging in hydrogen-bonding interactions; thus, materials that are able to act as hydrogen-bond receptors are of significant interest for these applications. In this review, we highlight some crystalline and polymeric materials that recognize and engage in hydrogen-bonding interactions with pharmaceuticals or small biomolecules. Moreover, as pharmaceuticals often exhibit multiple hydrogen-bonding sites, many donor/acceptor molecules have been specifically designed to interact with the drug via such multiple-point hydrogen bonds. The formation of multiple hydrogen bonds not only increases the strength of the interaction but also affords unique hydrogen-bonded architectures.
“…Incorporation of a specific receptor into a polymer backbone was demonstrated by Loizidou and co-workers wherein a barbiturate receptor was designed and synthesized ( figure 10 a ) [ 77 ]. Barbiturates are central nervous system depressants and exhibit both hydrogen-bond donor (amine) and acceptor (carbonyl) sites, depending on the specific barbiturate molecule ( figure 10 b ).…”
Section: Recognition Of Small Molecules By Polymer Materialsmentioning
confidence: 99%
“…The recognition ability of the polymer was tested in aqueous solutions of four barbiturates that comprise different numbers of hydrogen-bonding sites. Binding constants ranging from 10 2 to 10 5 M −1 were realized in solution, and computational studies revealed that a combination of hydrogen bonding and binding geometry contribute to the recognition ( figure 10 c ) [ 77 ]. Figure 10.…”
Section: Recognition Of Small Molecules By Polymer Materialsmentioning
The design, synthesis and property characterization of new functional materials has garnered interest in a variety of fields. Materials that are capable of recognizing and binding with small molecules have applications in sensing, sequestration, delivery and property modification. Specifically, recognition of pharmaceutical compounds is of interest in each of the aforementioned application areas. Numerous pharmaceutical compounds comprise functional groups that are capable of engaging in hydrogen-bonding interactions; thus, materials that are able to act as hydrogen-bond receptors are of significant interest for these applications. In this review, we highlight some crystalline and polymeric materials that recognize and engage in hydrogen-bonding interactions with pharmaceuticals or small biomolecules. Moreover, as pharmaceuticals often exhibit multiple hydrogen-bonding sites, many donor/acceptor molecules have been specifically designed to interact with the drug via such multiple-point hydrogen bonds. The formation of multiple hydrogen bonds not only increases the strength of the interaction but also affords unique hydrogen-bonded architectures.
“…A c c e p t e d M a n u s c r i p t 15 In order to calculate the MOF-surfactant binding constant, a more quantitative approach is provided by the following modified form of Benesi-Hildebrand relation [48,[64][65][66];…”
Section: Partition Constant and Gibbs Energy Changesmentioning
confidence: 99%
“…These interactions deemed to play an important role in developing targetspecific drugs and drug delivery systems [12][13][14][15]. The physical behavior of the surfactant micelles can considered as the configuration of pseudo-model of biological membranes to mimic a biological system.…”
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