Advances in applied supramolecular technologies

Williams, George T.; Haynes, Cally J. E.; Farès, Mohamed; Caltagirone, Claudia; Hiscock, Jennifer R.; Gale, Philip A.

doi:10.1039/d0cs00948b

Cited by 135 publications

(76 citation statements)

References 204 publications

(276 reference statements)

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“…As an example, dexamethasone carried by soluble nanoparticle (drug name OCS-01) developed by Oculis is now in a phase III clinical trial for DME. The results of a phase II (DX-211) study demonstrated that OCS-01 as a topical eye drop formulation could significantly reduce central macular thickness and improve the visual acuity compared with the vehicle arm [ 13 , 14 ].…”

Section: Innovations That Increase Intraocular Bioavailability Of Topical Drugsmentioning

confidence: 99%

“…There have been extensive explorations to enhance the delivery efficiency of topical formulations [7][8][9]. Currently, only a few topical formulations to target the posterior segment are in clinical development, including a dexamethasone in cyclodextrin microparticle formulation for the treatment of diabetic macular edema (DME) (phase II/III) [10], difluprednate emulsion for the treatment of DME (off-label use) [11], Aganirsen emulsion for the treatment of ischemic central retinal vein occlusion (phase II/III) [12], and OCS-01 in a soluble nanoparticle formulation for the treatment of DME (phase III) [13,14]. However, in recent years, the emerging science of new materials has brought possibilities for generating many novel topical drug formulations, which receive increasing attention in preclinical studies.…”

Section: Introductionmentioning

confidence: 99%

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The Emerging Role of Topical Ocular Drugs to Target the Posterior Eye

Wang

Zhou

Zhang³

2021

Ophthalmol Ther

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The prevalence of chronic fundus diseases is increasing with the aging of the general population. The treatment of these intraocular diseases relies on invasive drug delivery because of the globular structure and multiple barriers of the eye. Frequent intraocular injections bring heavy burdens to the medical care system and patients. The use of topical drugs to treat retinal diseases has always been an attractive solution. The fast development of new materials and technologies brings the possibility to develop innovative topical formulations. This article reviews anatomical and physiological barriers of the eye which affect the bioavailability of topical drugs. In addition, we summarize innovative topical formulations which enhance the permeability of drugs through the ocular surface and/or extend the drug retention time in the eye. This article also reviews the differences of eyes between different laboratory animals to address the translational challenges of preclinical models. The fast development of in vitro eye models may provide more tools to increase the clinical translationality of topical formulations for intraocular diseases. Clinical successes of topical formulations rely on continuous and collaborative efforts between different disciplines.

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Section: Innovations That Increase Intraocular Bioavailability Of Topical Drugsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

The Emerging Role of Topical Ocular Drugs to Target the Posterior Eye

Wang

Zhou

Zhang³

2021

Ophthalmol Ther

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“…Beyond nature, the research into supramolecular assembly has rapidly progressed in recent years, enabling the design of materials with precisely tuned properties and functionalities [5,6]. The applications of supramolecular structures are as multifaceted as the underlying molecules.…”

Section: Introductionmentioning

confidence: 99%

Columnar Aggregates of Azobenzene Stars: Exploring Intermolecular Interactions, Structure, and Stability in Atomistic Simulations

2021

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We present a simulation study of supramolecular aggregates formed by three-arm azobenzene (Azo) stars with a benzene-1,3,5-tricarboxamide (BTA) core in water. Previous experimental works by other research groups demonstrate that such Azo stars assemble into needle-like structures with light-responsive properties. Disregarding the response to light, we intend to characterize the equilibrium state of this system on the molecular scale. In particular, we aim to develop a thorough understanding of the binding mechanism between the molecules and analyze the structural properties of columnar stacks of Azo stars. Our study employs fully atomistic molecular dynamics (MD) simulations to model pre-assembled aggregates with various sizes and arrangements in water. In our detailed approach, we decompose the binding energies of the aggregates into the contributions due to the different types of non-covalent interactions and the contributions of the functional groups in the Azo stars. Initially, we investigate the origin and strength of the non-covalent interactions within a stacked dimer. Based on these findings, three arrangements of longer columnar stacks are prepared and equilibrated. We confirm that the binding energies of the stacks are mainly composed of π–π interactions between the conjugated parts of the molecules and hydrogen bonds formed between the stacked BTA cores. Our study quantifies the strength of these interactions and shows that the π–π interactions, especially between the Azo moieties, dominate the binding energies. We clarify that hydrogen bonds, which are predominant in BTA stacks, have only secondary energetic contributions in stacks of Azo stars but remain necessary stabilizers. Both types of interactions, π–π stacking and H-bonds, are required to maintain the columnar arrangement of the aggregates.

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“…There has been significant progress in the design of molecular anion receptors characterized by high selectivity and efficiency in recent years. The use of anion binding domains tethered to appropriate molecular platforms has allowed a number of molecular receptors to be obtained, with applications in medicine, environmental remediation, and many industrial processes [ 1 , 2 , 3 , 4 ]. In particular, modifying anion receptors with a signaling unit has led to selective sensors [ 5 , 6 , 7 , 8 , 9 ]; incorporating strong and/or multiple binding domains into the receptor scaffold results in effective extractants that are able to operate in both solid–liquid and liquid–liquid conditions [ 10 ]; carefully balancing the strength of the receptor binding domains gives rise to transmembrane transporters [ 11 , 12 , 13 , 14 ]; and harnessing the interaction of the binding site with particular anions opens up the possibility of them acting as organocatalysts [ 15 , 16 , 17 ].…”

Section: Introductionmentioning

confidence: 99%

Utilizing an Amino Acid Scaffold to Construct Heteroditopic Receptors Capable of Interacting with Salts under Interfacial Conditions

Jagleniec¹,

Walczak²,

Romański³

2021

IJMS

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A 4-nitro-L-phenylalanine scaffold was used to construct effective ion pair receptors capable of binding anions in an enhanced manner with the assistance of alkali metal cations. A benzocrown ether was linked to a receptor platform via the amide function so as to support the squaramide function in anion binding and to allow all three NHs to act simultaneously. The binding properties of the receptors were determined using UV-vis, 1H NMR, 2D NMR, and DOSY spectroscopy in MeCN and in the solid state by X-ray measurements. Ion pair receptor 2 was found to interact with the most strongly with salts, and the removal of its key structural elements was shown to hinder the receptor action. The amide proton was recognized to switch from having involvement in an intramolecular hydrogen bond to interacting with anions upon complexation. Apart from carboxylates, which promote deprotonation, and other monovalent salts creating 1:1 complexes with the receptor, more complex equilibria were established upon the complexation of 2 with sulfates. Receptor 2 was shown to be capable of the extraction of ion pairs from the aqueous to organic phase and of the cation-enhanced transport chloride and sulfate anions across a bulk chloroform membrane. These features may open the door for its use in regulating ion concertation under interfacial conditions and acting as a potential drug to treat channelopathies.

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Advances in applied supramolecular technologies

Abstract: Supramolecular chemistry has successfully built a foundation of fundamental understanding. However, with this now achieved, we show how this area of chemistry is moving out of the laboratory towards successful commercialisation.

Cited by 135 publications

References 204 publications

The Emerging Role of Topical Ocular Drugs to Target the Posterior Eye

The Emerging Role of Topical Ocular Drugs to Target the Posterior Eye

Columnar Aggregates of Azobenzene Stars: Exploring Intermolecular Interactions, Structure, and Stability in Atomistic Simulations

Utilizing an Amino Acid Scaffold to Construct Heteroditopic Receptors Capable of Interacting with Salts under Interfacial Conditions

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