RSC Advances
Molecular biology articles published in the last
6 months
Detection of intracellular microRNA-21 for cancer diagnosis by a nanosystem containing a ZnO@polydopamine and DNAzyme probe
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.
RSC Adv., 2024,14, 13351-13360
https://doi.org/10.1039/D4RA00636D
Rapid and quantitative detection of DNA hybridization using a simplified Fabry–Perot interferometric biosensor
The simple-structured Fabry–Perot interferometric biosensor is capable of rapid and quantitative detection of DNA hybridization.
RSC Adv., 2024,14, 13367-13373
https://doi.org/10.1039/D4RA01390E
Inhibition of survivin by 2′-O-methyl phosphorothioate-modified steric-blocking antisense oligonucleotides
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.
RSC Adv., 2024,14, 13336-13341
https://doi.org/10.1039/D4RA01925C
The conjugates of 5′-deoxy-5-fluorocytidine and hydroxycinnamic acids – synthesis, anti-pancreatic cancer activity and molecular docking studies
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.
RSC Adv., 2024,14, 13129-13141
https://doi.org/10.1039/D4RA01683A
ProteoMutaMetrics: machine learning approaches for solute carrier family 6 mutation pathogenicity prediction
Predict SLC6 mutation clinical pathogenicity by calculating the amino acid descriptors in different ranges with rationalization analysis of the prediction.
RSC Adv., 2024,14, 13083-13094
https://doi.org/10.1039/D4RA00748D
The inhibition of fibril formation of lysozyme by sucrose and trehalose
WAXS displays a significant difference due to the presence of amyloid fibrils in the absence of sugar.
RSC Adv., 2024,14, 11921-11931
https://doi.org/10.1039/D4RA01171F
Computational studies and synthesis of 131iodine-labeled nocardiotide A analogs as a peptide-based theragnostic radiopharmaceutical ligand for cancer targeting SSTR2
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.
RSC Adv., 2024,14, 10962-10968
https://doi.org/10.1039/D4RA00684D
In situ imaging of mRNA transcripts based on split-aptamer and split protein in living cells
Messenger RNA (mRNA) is an essential component of cell development and growth.
RSC Adv., 2024,14, 10146-10151
https://doi.org/10.1039/D3RA08475B
In silico identification of multi-target inhibitors from medicinal fungal metabolites against the base excision repair pathway proteins of African swine fever virus
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.
RSC Adv., 2024,14, 10039-10055
https://doi.org/10.1039/D4RA00819G
ADME profiling, molecular docking, DFT, and MEP analysis reveal cissamaline, cissamanine, and cissamdine from Cissampelos capensis L.f. as potential anti-Alzheimer's agents
Proaporphine alkaloids—cissamaline, cissamanine, and cissamdine—show promise against AD, with in silico studies highlighting their potential as new therapeutics.
RSC Adv., 2024,14, 9878-9891
https://doi.org/10.1039/D4RA01070A
Design, synthesis and biological evaluation of indole-2-carboxylic acid derivatives as novel HIV-1 integrase strand transfer inhibitors
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.
RSC Adv., 2024,14, 9020-9031
https://doi.org/10.1039/D3RA08320A
Heme-substituted protein assembly bridged by synthetic porphyrin: achieving controlled configuration while maintaining rotational freedom
Construction of a bevel-gear-like protein assembly using a synthetic porphyrin with defined flexibility.
RSC Adv., 2024,14, 8829-8836
https://doi.org/10.1039/D4RA01042F
Investigation of chain-length selection by the tenellin iterative highly-reducing polyketide synthase
Engineering the substrate-binding-helix of the keto-reductase domain of TENS controls chain-length selectivity of the products.
RSC Adv., 2024,14, 8963-8970
https://doi.org/10.1039/D3RA08463A
Viral peptide conjugates for metal-warhead delivery to chromatin
Chromatin-targeting viral peptide–gold(I) conjugates display cancer cell selectivity and localize to the nucleosome acidic patch, forming histone site-specific protein adducts.
RSC Adv., 2024,14, 8718-8725
https://doi.org/10.1039/D4RA01617C
Analysing the effect caused by increasing the molecular volume in M1-AChR receptor agonists and antagonists: a structural and computational study
Two QSAR models which correlates the interaction energy and structural features of agonists and antagonists of M1-AChR.
RSC Adv., 2024,14, 8615-8640
https://doi.org/10.1039/D3RA07380G
Synergistic acceleration of machine learning and molecular docking for prostate-specific antigen ligand design
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.
RSC Adv., 2024,14, 8240-8250
https://doi.org/10.1039/D3RA08550C
Aqueous alkaline phosphate facilitates the non-exchangeable deuteration of peptides and proteins
The incorporation of deuterium into peptides and proteins holds broad applications across various fields, such as drug development and structural characterization.
RSC Adv., 2024,14, 8075-8080
https://doi.org/10.1039/D3RA08636D
Single molecule technique unveils the role of electrostatic interactions in ssDNA–gp32 molecular complex stability
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.
RSC Adv., 2024,14, 5449-5460
https://doi.org/10.1039/D3RA07746B
Exploring protein–ligand binding affinity prediction with electron density-based geometric deep learning
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.
RSC Adv., 2024,14, 4492-4502
https://doi.org/10.1039/D3RA08650J
De novo designed aliphatic and aromatic peptides assemble into amyloid-like cytotoxic supramolecular nanofibrils
De novo designed aliphatic and aromatic peptides form biomimetic supramolecular nanofibrils illuminating the intricacies of the pathogenic amyloid assemblies.
RSC Adv., 2024,14, 4382-4388
https://doi.org/10.1039/D3RA07869H
Ligand based pharmacophore modelling and integrated computational approaches in the quest for small molecule inhibitors against hCA IX
An integrated computational approach in search of potent hCA IX inhibitors.
RSC Adv., 2024,14, 3346-3358
https://doi.org/10.1039/D3RA08618F
Insights into colistin-mediated fluorescence labelling of bacterial LPS
Indirect labelling of the lipopolysaccharide of Gram-negative bacteria by fluorescence turn-on signalling and computational calculations.
RSC Adv., 2024,14, 2770-2777
https://doi.org/10.1039/D3RA07107C
Improving the thermostability and modulating the inulin profile of inulosucrase through rational glycine-to-proline substitution
MD simulations pinpointed temperature-sensitive glycine residues in LrInu. Substituting these glycines with proline significantly improved stability and levan yield.
RSC Adv., 2024,14, 2346-2353
https://doi.org/10.1039/D3RA06896J
Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets
We introduce introduces the PocketCFDM generative diffusion model, aimed at improving the prediction of small molecule poses in the protein binding pockets.
RSC Adv., 2024,14, 1341-1353
https://doi.org/10.1039/D3RA08147H
Asymmetric Michael addition catalysed by copper–amyloid complexes
Amyloid proteins displaying a copper histidine-brace offer designable scaffolds for efficient and asymmetric chemical reactions.
RSC Adv., 2024,14, 206-210
https://doi.org/10.1039/D3RA07900G
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