Supramolecular Synthon Promiscuity in Phosphoric Acid-Dihydrogen Phosphate Ionic Cocrystals. [PDF]
Cryst Growth Des, 2022 Approximately 80% of active pharmaceutical ingredients (APIs) studied as lead candidates in drug development exhibit low aqueous solubility, which typically results in such APIs being poorly absorbed and exhibiting low bioavailability. Salts of ionizable APIs and, more recently, pharmaceutical cocrystals can address low solubility and other relevant ...
Haskins MM, Lusi M, Zaworotko MJ.
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Supramolecular synthon hierarchy in sulfonamide cocrystals with syn-amides and N-oxides [PDF]
IUCrJ, 2019 Sulfonamide drugs are well known antibacterial and antimicrobial molecules for pharmaceutical development. Building a library of suitable supramolecular synthons for the sulfonamide functional group and understanding their crystal structures with partner
Geetha Bolla, Ashwini Nangia
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Supramolecular Synthon Identification in Azelaic Acid – Isonicotinamide
Journal of Magnetic Resonance Open, 2022 Supramolecular synthons are the smallest structural units that contain the information inherent in building large molecular assemblies. Here, we apply solid-state NMR methods for the identification of the synthon in a cocrystal of Azelaic acid [(CH2)7 ...
Jayasubba Reddy Yarava +4 more
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Assessment of Computational Tools for Predicting Supramolecular Synthons [PDF]
Chemistry, 2021 The ability to predict the most likely supramolecular synthons in a crystalline solid is a valuable starting point for subsequently predicting the full crystal structure of a molecule with multiple competing molecular recognition sites.
Bhupinder Sandhu +4 more
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Modular protein frameworks via supramolecular synthons. [PDF]
Biophys RevAbstract Controlled protein assembly and protein crystal engineering are routes to new types of biomaterials. In this review, we examine how crystal engineering concepts, including polymorph searching, molecular tectonics and supramolecular synthons, can be adapted and applied in protein-based systems.
Mockler NM, Crowley PB.
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Stable 1,3,2-Benzodithiazolyl Radicals: Modification of Reactivity, Crystal Packing, and Solid State Magnetic Properties by Fluorination. [PDF]
ChemistryOpenFluorination reduces solid‐state thermal stability of 1,3,2‐benzodithiazolyl radicals and modulates crystal structures (e.g., by means of a new supramolecular zip‐synthon) and reactivity, in the latter case toward transformations unknown in the hydrocarbon series but potentially general in the fluorocarbon one.
Buravlev AA +14 more
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Double Salts and Racemate in Mefloquine-Ibuprofen and Mefloquine-Ketoprofen Systems. A Structural and Thermochemical Analysis. [PDF]
Chirality(S)‐ibuprofen or ketoprofen were used to resolve mefloquine, forming double salts structurally similar to the racemic forms. ABSTRACT The formation of salts remains a highly sought‐after yet unpredictable strategy for resolving chiral drugs. Using a drug–drug approach, we have investigated the crystallization behavior of Mefloquine (Mf), a racemic ...
Martins JB +3 more
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Making and Breaking Supramolecular Synthons for Modular Protein Frameworks. [PDF]
ChemistryAbstractAnionic calixarenes are useful mediators of protein assembly. In some cases, protein – calixarene cocrystallization yields multiple polymorphs. Ralstonia solanacearum lectin (RSL) cocrystallizes with p‐sulfonato‐calix[8]arene (sclx8) in at least four distinct pH‐dependent arrangements.
Mockler NM, Raston CL, Crowley PB.
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Supramolecular Frameworks Based on Rhenium Clusters Using the Synthons Approach [PDF]
Molecules, 2021 The reaction of the K4[{Re6Si8}(OH)a6]·8H2O rhenium cluster salt with pyrazine (Pz) in aqueous solutions of alkaline or alkaline earth salts at 4 °C or at room temperature leads to apical ligand exchange and to the formation of five new compounds: [trans-
Nathalie Audebrand +5 more
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The interplay between hydrogen bonds and stacking/T-type interactions in molecular cocrystals [PDF]
Communications ChemistrySupramolecular synthon and hydrogen bond pairing approaches have influenced the understanding of cocrystal formation for decades, but are hydrogen bonds really the dominant interaction in cocrystals?
Aurora J. Cruz-Cabeza +2 more
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