Recent advances of studies on cell-penetrating peptides based on molecular dynamics simulations

J Ouyang, Y Sheng, W Wang - Cells, 2022 - mdpi.com
With the ability to transport cargo molecules across cell membranes with low toxicity, cell-
penetrating peptides (CPPs) have become promising candidates for next generation peptide …

Targeting acidic diseased tissues by pH-triggered membrane-associated peptide folding

YK Reshetnyak, A Moshnikova, OA Andreev… - … in Bioengineering and …, 2020 - frontiersin.org
The advantages of targeted therapy have motivated many efforts to find distinguishing
features between the molecular cell surface landscapes of diseased and normal cells …

Targeting acidity in diseased tissues: mechanism and applications of the membrane-inserting peptide, pHLIP

JC Deacon, DM Engelman, FN Barrera - Archives of biochemistry and …, 2015 - Elsevier
Abstract pHLIPs are a family of soluble∼ 36 amino acid peptides, which bind to membrane
surfaces. If the environment is acidic, a pHLIP folds and inserts across the membrane to form …

Pristine and hydroxylated fullerenes prevent the aggregation of human islet amyloid polypeptide and display different inhibitory mechanisms

C Bai, Z Lao, Y Chen, Y Tang, G Wei - Frontiers in Chemistry, 2020 - frontiersin.org
Protein aggregation, involving the formation of dimers, oligomers, and fibrils, is associated
with many human diseases. Type 2 diabetes is one of the common amyloidosis and linked …

Influence of fullerenol on hIAPP aggregation: amyloid inhibition and mechanistic aspects

C Bai, D Lin, Y Mo, J Lei, Y Sun, L Xie… - Physical Chemistry …, 2019 - pubs.rsc.org
Fullerenols have garnered significant scientific interest in nano-technology and biomedicine.
A detailed understanding of their interactions with proteins is fundamentally important for …

Membrane-Induced pKa Shifts in wt-pHLIP and Its L16H Variant

D Vila-Viçosa, TFD Silva, G Slaybaugh… - Journal of chemical …, 2018 - ACS Publications
The pH (low) insertion peptides (pHLIPs) is a family of peptides that are able to insert into a
lipid bilayer at acidic pH. The molecular mechanism of pHLIPs insertion, folding, and stability …

Interaction of peptides with cell membranes: insights from molecular modeling

Z Li, H Ding, Y Ma - Journal of Physics: Condensed Matter, 2016 - iopscience.iop.org
The investigation of the interaction of peptides with cell membranes is the focus of active
research. It can enhance the understanding of basic membrane functions such as …

Cooperative nonbonded forces control membrane binding of the pH-low insertion peptide pHLIP

C Gupta, Y Ren, B Mertz - Biophysical Journal, 2018 - cell.com
Peptides with the ability to bind and insert into the cell membrane have immense potential in
biomedical applications. pH (low) insertion peptide (pHLIP), a water-soluble polypeptide …

How transmembrane peptides insert and orientate in biomembranes: a combined experimental and simulation study

T Yue, M Sun, S Zhang, H Ren, B Ge… - Physical Chemistry …, 2016 - pubs.rsc.org
After the synthesis of transmembrane peptides/proteins (TMPs), their insertion into a lipid
bilayer is a fundamental biophysical process. Moreover, correct orientations of TMPs in …

Bilayer surface association of the pHLIP peptide promotes extensive backbone desolvation and helically-constrained structures

MC Brown, RA Yakubu, J Taylor, CM Halsey… - Biophysical …, 2014 - Elsevier
Despite their presence in many aspects of biology, the study of membrane proteins lags
behind that of their soluble counterparts. Improving structural analysis of membrane proteins …