Herein, various molecular balances used for comparing the strengths of intramolecular noncovalent interactions are reviewed. Our overview indicates that considerable quantitative insight into the strength of noncovalent interactions can be gained through the careful design of molecular balances. Many exciting opportunities certainly exist for the design of further new balances to quantify and dissect the relative strengths of noncovalent interactions as a function of solvation and the importance of the many factors that contribute to overall molecular recognition. However, even simple model molecules can show a multiplicity of intramolecular noncovalent interactions acting in a combined fashion. It is therefore essential to undertake a detailed computational analysis to identify all possible noncovalent interactions present in a selected molecular balance prior to a quantitative experimental assessment of the strength of a particular noncovalent interaction. It is also argued that the words "torsion" and "molecular balance" seem to have become inextricably linked and, in consequence, even top pan and seesaw balances have been mistakenly referred to in these terms.

Download full-text PDF

Source
http://dx.doi.org/10.1002/chem.201900854DOI Listing

Publication Analysis

Top Keywords

noncovalent interactions
24
molecular balances
12
intramolecular noncovalent
12
design molecular
8
strength noncovalent
8
noncovalent
7
interactions
6
molecular
5
balances
5
advances design
4

Similar Publications

The polyphenol-starch complex has become a hot research topic since it is evident that this modification method can alter the physicochemical properties of starch as well as improve its nutritional value. This work aimed to evaluate the effect of ginger polyphenol gingerols (GNs) and shogaols (SNs) on the structure of starch with different amylose content (WCS, CS, G56, G80). Textural and rheological results indicated that GNs and SNs had more pronounced inhibitory retrogradation effects for relative low-level amylose starches (WCS and CS) compared to relative high-level amylose starches (G56 and G80).

View Article and Find Full Text PDF

Molecular basis of interchain disulfide bond formation in BMP-9 and BMP-10.

J Mol Biol

January 2025

Department of Structural Biology, School of Medicine, University of Pittsburgh, Pittsburgh, PA 15260, USA. Electronic address:

BMP-9 and BMP-10 are TGF-β family signaling ligands naturally secreted into blood. They act on endothelial cells and are required for proper development and maintenance of the vasculature. In hereditary hemorrhagic telangiectasia, regulation is disrupted due to mutations in the BMP-9/10 pathway, namely in the type I receptor ALK1 or the co-receptor endoglin.

View Article and Find Full Text PDF

Alzheimer's disease (AD) is a progressive neurodegenerative disorder characterized by cognitive decline, extracellular amyloid-β (Aβ) plaque accumulation, and intracellular neurofibrillary tangles. Recent efforts to find effective therapies have increased interest in natural compounds with multifaceted effects on AD pathology. This study explores natural compounds for their potential to mitigate AD pathology using molecular docking, ADME screening, and assays, with ruscogenin─a steroidal sapogenin from emerging as a promising candidate.

View Article and Find Full Text PDF

The matere bond.

Dalton Trans

January 2025

Department of Chemistry, Universitat de les Illes Balears, Crta de Valldemossa km 7.5, 07122 Palma de Mallorca, Baleares, Spain.

This perpective delves into the emerging field of matere bonds, a novel type of noncovalent interaction involving group 7 elements such as manganese, technetium, and rhenium. Matere bonds, a new member of the σ-hole family where metal atoms act as electron acceptors, have been shown experimentally and theoretically to play significant roles in the self-assembly and stabilization of supramolecular structures both in solid-state and solution-phase environments. This perspective article explores the physical nature of these interactions, emphasizing their directionality and structural influence in various supramolecular architectures.

View Article and Find Full Text PDF

Oligonucleotide therapeutics, including antisense oligonucleotides and small interfering RNA, offer promising avenues for modulating the expression of disease-associated proteins. However, challenges such as nuclease degradation, poor cellular uptake, and unspecific targeting hinder their application. To overcome these obstacles, spherical nucleic acids have emerged as versatile tools for nucleic acid delivery in biomedical applications.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!