Three-dimensional protein assemblies directed by orthogonal non-covalent interactions

2016 ◽  
Vol 52 (62) ◽  
pp. 9687-9690 ◽  
Author(s):  
Guang Yang ◽  
Zdravko Kochovski ◽  
Zhongwei Ji ◽  
Yan Lu ◽  
Guosong Chen ◽  
...  
Keyword(s):  
Three Dimensional ◽  
Protein Assemblies ◽  
Covalent Interaction ◽  
Specific Recognition ◽  
Non Covalent Interactions ◽  
Interaction Strategy ◽  
Covalent Interactions

In this report, an orthogonal non-covalent interaction strategy based on specific recognition between sugar and protein, and host–guest interaction, was employed to construct artificial three dimensional (3D) protein assemblies in the laboratory.

scholarly journals Correction: Three-dimensional protein assemblies directed by orthogonal non-covalent interactions

2016 ◽  
Vol 52 (71) ◽  
pp. 10803-10803
Author(s):  
Guang Yang ◽  
Zdravko Kochovski ◽  
Zhongwei Ji ◽  
Yan Lu ◽  
Guosong Chen ◽  
...  
Keyword(s):  
Three Dimensional ◽  
Protein Assemblies ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Correction for ‘Three-dimensional protein assemblies directed by orthogonal non-covalent interactions’ by Guang Yang et al., Chem. Commun., 2016, 52, 9687–9690.

scholarly journals Weak Interactions in Cocrystals of Isoniazid with Glycolic and Mandelic Acids

Crystals ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 328
Author(s):  
Raquel Álvarez-Vidaurre ◽  
Alfonso Castiñeiras ◽  
Antonio Frontera ◽  
Isabel García-Santos ◽  
Diego M. Gil ◽  
...  
Keyword(s):  
Density Functional ◽  
Glycolic Acid ◽  
Weak Interactions ◽  
Three Dimensional ◽  
Functional Theory ◽  
Molecular Systems ◽  
X Ray Crystallography ◽  
Hydroxycarboxylic Acids ◽  
Non Covalent Interactions ◽  
Covalent Interactions

This work deals with the preparation of pyridine-3-carbohydrazide (isoniazid, inh) cocrystals with two α-hydroxycarboxylic acids. The interaction of glycolic acid (H2ga) or d,l-mandelic acid (H2ma) resulted in the formation of cocrystals or salts of composition (inh)·(H2ga) (1) and [Hinh]+[Hma]–·(H2ma) (2) when reacted with isoniazid. An N′-(propan-2-ylidene)isonicotinic hydrazide hemihydrate, (pinh)·1/2(H2O) (3), was also prepared by condensation of isoniazid with acetone in the presence of glycolic acid. These prepared compounds were well characterized by elemental analysis, and spectroscopic methods, and their three-dimensional molecular structure was determined by single crystal X-ray crystallography. Hydrogen bonds involving the carboxylic acid occur consistently with the pyridine ring N atom of the isoniazid and its derivatives. The remaining hydrogen-bonding sites on the isoniazid backbone vary based on the steric influences of the derivative group. These are contrasted in each of the molecular systems. Finally, Hirshfeld surface analysis and Density-functional theory (DFT) calculations (including NCIplot and QTAIM analyses) have been performed to further characterize and rationalize the non-covalent interactions.

Construction of triple non-covalent interaction-based ultra-strong self-healing polymeric gels via frontal polymerization

2020 ◽  
Vol 8 (40) ◽  
pp. 14083-14091
Author(s):  
Ji-Dong Liu ◽  
Xiang-Yun Du ◽  
Cai-Feng Wang ◽  
Qing Li ◽  
Su Chen
Keyword(s):  
Frontal Polymerization ◽  
Self Healing ◽  
Smart Window ◽  
Covalent Interaction ◽  
Polymeric Gels ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Robust and self-healing polymeric gels based on triple non-covalent interactions have been constructed for generation of a new self-healing thermoresponsive smart window.

scholarly journals Bromination of bis(pyridin-2-yl) diselenide in methylene chloride: the reaction mechanism and crystal structures of 1H-pyridine-2-selenenyl dibromide and its cycloadduct with cyclopentene (3aSR,9aRS)-2,3,3a,9a-tetrahydro-1H-cyclopenta[4,5][1,3]selenazolo[3,2-a]pyridinium bromide

2019 ◽  
Vol 75 (5) ◽  
pp. 675-679 ◽  
Author(s):  
Zhanna V. Matsulevich ◽  
Julia M. Lukiyanova ◽  
Vladimir I. Naumov ◽  
Galina N. Borisova ◽  
Vladimir K. Osmanov ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Methylene Chloride ◽  
Three Dimensional ◽  
Cycloaddition Reaction ◽  
Double Layers ◽  
Pyridinium Bromide ◽  
Square Planar ◽  
Non Covalent Interactions ◽  
Covalent Interactions ◽  
Centrosymmetric Dimers

1H-Pyridine-2-selenenyl dibromide, C5H5NSeBr2, 1, is a product of the bromination of bis(pyridin-2-yl) diselenide in methylene chloride recrystallization from methanol. Compound 1 is essentially zwitterionic: the negative charge resides on the SeBr2 moiety and the positive charge is delocalized over the pyridinium fragment. The C—Se distance of 1.927 (3) Å is typical of a single bond. The virtually linear Br—Se—Br moiety of 178.428 (15)° has symmetrical geometry, with Se—Br bonds of 2.5761 (4) and 2.5920 (4) Å, and is twisted by 63.79 (8)° relative to the pyridinium plane. The Se atom forms an intermolecular Se...Br contact of 3.4326 (4) Å, adopting a distorted square-planar coordination. In the crystal, molecules of 1 are linked by intermolecular N—H...Br and C—H...Br hydrogen bonds, as well as by non-covalent Se...Br interactions, into a three-dimensional framework. (3aSR,(9aRS)-2,3,3a,9a-Tetrahydro-1H-cyclopenta[4,5][1,3]selenazolo[3,2-a]pyridinium-9 bromide, C10H12NSe+·Br−, 2, is a product of the cycloaddition reaction of 1 with cyclopentene. Compound 2 is a salt containing a selenazolopyridinium cation and a bromide anion. Both five-membered rings of the cation adopt envelope conformations. The dihedral angle between the basal planes of these rings is 62.45 (11)°. The Se atom of the cation forms two additional non-covalent interactions with the bromide anions at distances of 3.2715 (4) and 3.5683 (3) Å, attaining a distorted square-planar coordination. In the crystal, the cations and anions of 2 form centrosymmetric dimers by non-covalent Se...Br interactions. The dimers are linked by weak C—H...Br hydrogen bonds into double layers parallel to (001).

scholarly journals Non-covalent Interaction With SUMO Enhances the Activity of Human Cytomegalovirus Protein IE1

2021 ◽  
Vol 9 ◽  
Author(s):  
Vasvi Tripathi ◽  
Kiran Sankar Chatterjee ◽  
Ranabir Das
Keyword(s):  
Human Cytomegalovirus ◽  
Core Domain ◽  
Promyelocytic Leukemia Protein ◽  
Covalent Interaction ◽  
Transactivation Activity ◽  
Early Protein ◽  
Viral Promoters ◽  
Non Covalent Interactions ◽  
Cellular Pathways ◽  
Covalent Interactions

Viruses interact with the host cellular pathways to optimize cellular conditions for replication. The Human Cytomegalovirus (HCMV) Immediate-Early protein 1 (IE1) is the first viral protein to express during infection. It is a multifunctional and conditionally essential protein for HCMV infection. SUMO signaling regulates several cellular pathways that are also targets of IE1. Consequently, IE1 exploits SUMO signaling to regulate these pathways. The covalent interaction of IE1 and SUMO (IE1-SUMOylation) is well studied. However, the non-covalent interactions between SUMO and IE1 are unknown. We report two SUMO-Interacting Motifs (SIMs) in IE1, one at the end of the core domain and another in the C-terminal domain. NMR titrations showed that IE1-SIMs bind to SUMO1 but not SUMO2. Two critical functions of IE1 are inhibition of SUMOylation of Promyelocytic leukemia protein (PML) and transactivation of viral promoters. Although the non-covalent interaction of IE1 and SUMO is not involved in the inhibition of PML SUMOylation, it contributes to the transactivation activity. The transactivation activity of IE1 was previously correlated to its ability to inhibit PML SUMOylation. Our results suggest that transactivation and inhibition of PML SUMOylation are independent activities of IE1.

Non-covalent interactions with inverted carbon: a carbo-hydrogen bond or a new type of hydrogen bond?

2020 ◽  
Vol 22 (16) ◽  
pp. 8988-8997 ◽  
Author(s):  
Juhi Dutta ◽  
Dipak Kumar Sahoo ◽  
Subhrakant Jena ◽  
Kiran Devi Tulsiyan ◽  
Himansu S. Biswal
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bond ◽  
Quantum Chemical Calculations ◽  
Structure Analysis ◽  
Quantum Chemical ◽  
Crystal Structure Analysis ◽  
Covalent Interaction ◽  
New Type ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Crystal structure analysis and quantum chemical calculations enabled us to discover a new non-covalent interaction, coined as carbo-hydrogen bond (CH-bond).

scholarly journals Structure of Imidazolium-N-phthalolylglycinate Salt Hydrate: Combined Experimental and Quantum Chemical Calculations Studies

Crystals ◽  
2020 ◽  
Vol 10 (2) ◽  
pp. 91
Author(s):  
Usman ◽  
Khan ◽  
Jaafar ◽  
Alsalme ◽  
Tabassum
Keyword(s):  
Self Assembly ◽  
Quantum Chemical ◽  
Function Analysis ◽  
Three Dimensional ◽  
Supramolecular Assembly ◽  
Spectroscopic Techniques ◽  
Salt Hydrate ◽  
Chemical Studies ◽  
Non Covalent Interactions ◽  
Covalent Interactions

An organic supramolecular salt hydrate (imidazolium:N-phthalolylglycinate:H2O; IM+-NPG−-HYD) has been examined for its charge-transfer (CT) characteristics. Accordingly, IM+–NPG−–HYD has been characterized thoroughly using various spectroscopic techniques. Combined experimental and quantum chemical studies, along with wave function analysis, were performed to study the non-covalent interactions and their role in CT in the supramolecular salt hydrate. Notably, IM+–NPG−–HYD crystalizes in two configurations (A and B), both of which are held together via non-covalent interactions to result in a three-dimensional CT supramolecular assembly. The through-space CT occurs from NPG– (donor) to IM+ (acceptor), and this was mediated via non-covalent forces. We demonstrated the role of π–π stacking interactions (mixed-stacking donor-acceptor interactions) in the presence of charge-assisted hydrogen bonds in the regulation of CT properties in the self-assembly of the IM+–NPG−–HYD salt hydrate.

scholarly journals Tetraammonium bis(metforminium) di-μ6-oxido-tetra-μ3-oxido-tetradeca-μ2-oxido-octaoxidodecavanadium(V) hexahydrate

IUCrData ◽  
2021 ◽  
Vol 6 (6) ◽  
Author(s):  
J. Alberto Polito-Lucas ◽  
José A. Núñez-Ávila ◽  
Sylvain Bernès ◽  
Aarón Pérez-Benítez
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Three Dimensional ◽  
Water Molecules ◽  
Intermolecular Hydrogen Bonds ◽  
Space Group ◽  
Dimensional Network ◽  
Non Covalent Interactions ◽  
Covalent Interactions

The title compound, (NH4)4(C4H12N5)2[V10O28]·6H2O, crystallizes with the decavanadate anion placed on an inversion centre in space group P\overline{1}. This anion is surrounded by a first shell of ammonium cations and water molecules, forming efficient N—H...O and O—H...O hydrogen bonds. A second shell includes metforminium monocations with a twisted geometry, also forming numerous intermolecular hydrogen bonds. The complex three-dimensional network of non-covalent interactions affords a crystal structure in which the cations and anions are densely packed.

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