RSC Advances  

The dimerization of the Aβ₄₂ peptide is inhibited by the silver nanoparticle.

FEP calculation performance depends on the considered targets.

Pregnenolone-based derivatives have been synthesized to inhibit the protofibril formation in order to reduce Aβ_1–42 production and prevent its aggregation.

The novel nanosystem composed of ZnO@polydopamine nanomaterial and deoxyribozyme probe can be applied for ratiometric fluorescence assay for microRNA-21, which is helpful for cancer diagnosis and prognosis.

The simple-structured Fabry–Perot interferometric biosensor is capable of rapid and quantitative detection of DNA hybridization.

We have designed and screened seven fully 2′-O-methyl phosphorothioate-modified steric-blocking ASOs for specific inhibition of BIRC5 expression. As a result, ASO-7 was identified as the lead sequence.

New conjugates 1–6 containing 5-dFCR and selected hydroxycinnamic acids were synthesized and tested in vitro against pancreatic cancer (PDAC) lines. The ADME properties and molecular docking to CES2 or human albumin were discussed.

Predict SLC6 mutation clinical pathogenicity by calculating the amino acid descriptors in different ranges with rationalization analysis of the prediction.

WAXS displays a significant difference due to the presence of amyloid fibrils in the absence of sugar.

The cWIWLYA peptide shows high labeling efficiency with I-131 (>90%). Its ¹³¹I₂-complex has high stability at room temperature as well as in plasma.

Messenger RNA (mRNA) is an essential component of cell development and growth.

Through in silico methods, three fungal metabolites, namely cochlactone A, antcamphin M, and methyl ganoderate E, exhibited potential multi-target inhibitory activity against African swine fever virus (ASFV) base excision repair proteins.

Proaporphine alkaloids—cissamaline, cissamanine, and cissamdine—show promise against AD, with in silico studies highlighting their potential as new therapeutics.

Integrase plays an important role in the life cycle of HIV-1, and indole-2-carboxylic acid derivative 17a can effectively inhibit the strand transfer of integrase.

Construction of a bevel-gear-like protein assembly using a synthetic porphyrin with defined flexibility.

Engineering the substrate-binding-helix of the keto-reductase domain of TENS controls chain-length selectivity of the products.

Chromatin-targeting viral peptide–gold(I) conjugates display cancer cell selectivity and localize to the nucleosome acidic patch, forming histone site-specific protein adducts.

Two QSAR models which correlates the interaction energy and structural features of agonists and antagonists of M1-AChR.

By employing a million-level virtual screening to obtain potential PSA compounds and effectively guiding the synthesis using machine learning methods, we obtained lead compounds that exhibited significantly improved binding affinity for PSA.

The incorporation of deuterium into peptides and proteins holds broad applications across various fields, such as drug development and structural characterization.

A single-molecule electrophysiology assay was employed using an α-HL nanopore to test the stability of ssDNA and gp32 SSB–protein, in different salt conditions. Low salt and the presence of Zn²⁺ increases ssDNA–gp32 complex stability.

A deep learning approach centered on electron density is suggested for predicting the binding affility between proteins and ligands. The approach is thoroughly assessed using various pertinent benchmarks.

De novo designed aliphatic and aromatic peptides form biomimetic supramolecular nanofibrils illuminating the intricacies of the pathogenic amyloid assemblies.

An integrated computational approach in search of potent hCA IX inhibitors.

Indirect labelling of the lipopolysaccharide of Gram-negative bacteria by fluorescence turn-on signalling and computational calculations.