Supramolecular Synthons in Protein-Ligand Frameworks. [PDF]
Cryst Growth DesSupramolecular synthons, defined as reproducible intermolecular structural units, have greatly aided small molecule crystal engineering. In this paper, we propose that supramolecular synthons guide ligand-mediated protein crystallization. The protein RSL
Flood RJ +4 more
europepmc +4 more sources
A Proline-Based Tectons and Supramolecular Synthons for Drug Design 2.0: A Case Study of ACEI [PDF]
Pharmaceuticals, 2020 Proline is a unique, endogenous amino acid, prevalent in proteins and essential for living organisms. It is appreciated as a tecton for the rational design of new bio-active substances. Herein, we present a short overview of the subject. We analyzed 2366
Joanna Bojarska +5 more
doaj +3 more sources
Modular protein frameworks via supramolecular synthons. [PDF]
Biophys RevControlled 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 ...
Mockler NM, Crowley PB.
europepmc +3 more sources
Making and Breaking Supramolecular Synthons for Modular Protein Frameworks. [PDF]
ChemistryAnionic 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 ...
Mockler NM, Raston CL, Crowley PB.
europepmc +4 more sources
Consistency and variability of cocrystals containing positional isomers: the self-assembly evolution mechanism of supramolecular synthons of cresol–piperazine [PDF]
IUCrJ, 2019 The disposition of functional groups can induce variations in the nature and type of interactions and hence affect the molecular recognition and self-assembly mechanism in cocrystals. To better understand the formation of cocrystals on a molecular level,
Na Wang +9 more
doaj +3 more sources
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
doaj +3 more sources
Combinatorial selection of molecular conformations and supramolecular synthons in quercetin cocrystal landscapes: a route to ternary solids [PDF]
IUCrJ, 2015 The crystallization of 28 binary and ternary cocrystals of quercetin with dibasic coformers is analyzed in terms of a combinatorial selection from a solution of preferred molecular conformations and supramolecular synthons.
Ritesh Dubey, Gautam R. Desiraju
doaj +3 more sources
Anthracenemethyl Glycosides as Supramolecular Synthons for Chiral Self-Assembly and as Probes in Cell Imaging. [PDF]
ACS Omega, 2023 Chiral self-assembly of molecules warrants optimal structural features of synthons that promote formation of such self-assembled structures. A polyaromatic moiety coupled with hydrophilic, chiral-rich carbohydrates leads to segmentation of the regions ...
George A, Jayaraman N.
europepmc +2 more sources
Low-Molecular-Weight Organogelators Based on N-dodecanoyl-L-amino Acids-Energy Frameworks and Supramolecular Synthons. [PDF]
Materials (Basel), 2023 Lauric acid was used to synthesize the low-molecular-weight organogelators (LMOGs), derivatives of two endogenous (L)-alanine, (L)-leucine, and three exogenous (L)-valine, (L)-phenylalanine, and (L)-proline amino acids.
Miroslaw B +3 more
europepmc +2 more sources
Crystals, 2022 Synthon theory underlies the analysis and empirical prediction of the crystal structure. Supramolecular synthons (SMSs) formed by intermolecular hydrogen bonds, such as carboxylic R22(8) and C11(4) and alcoholic C11(2) ones, are among the most popular ...
Alexander A. Bredikhin +3 more
doaj +2 more sources