Results 21 to 30 of about 1,916,855 (274)

C2PO: an ML-powered optimizer of the membrane permeability of cyclic peptides through chemical modification. [PDF]

J Cheminform
Peptide drug development is currently receiving due attention as a modality between small and large molecules. Therapeutic peptides represent an opportunity to achieve high potency, selectivity, and reach intracellular targets.
Aerts R, Tavernier J, Kerstjens A, Ahmad M, Gómez-Tamayo JC, Tresadern G, De Winter H.   +6 more
europepmc   +2 more sources

Molecular Self-Assembly and Supramolecular Chemistry of Cyclic Peptides

Chemical Reviews, 2021
This Review focuses on the establishment and development of self-assemblies governed by the supramolecular interactions between cyclic peptides. The Review first describes the type of cyclic peptides able to assemble into tubular structures to form ...
Qiao Song, Z. Cheng, M. Kariuki, Stephen C. L. Hall, Sophie K Hill, Julia Y. Rho, S. Perrier   +6 more
semanticscholar   +1 more source

The cyclic peptide G4CP2 enables the modulation of galactose metabolism in yeast by interfering with GAL4 transcriptional activity

Frontiers in Molecular Biosciences, 2023
Genetically-encoded combinatorial peptide libraries are convenient tools to identify peptides to be used as therapeutics, antimicrobials and functional synthetic biology modules. Here, we report the identification and characterization of a cyclic peptide,
Stefano Rosa, Andrea Tagliani, Chiara Bertaso, Luca Tadini, Cristina Visentin, Louise Jane Gourlay, Sabrina Pricl, Sabrina Pricl, Lucia Feni, Sara Pellegrino, Paolo Pesaresi, Simona Masiero   +11 more
doaj   +1 more source

Elucidating Solution Structures of Cyclic Peptides Using Molecular Dynamics Simulations.

Chemical Reviews, 2021
Protein-protein interactions are vital to biological processes, but the shape and size of their interfaces make them hard to target using small molecules.
J. Damjanovic, J. Miao, He Huang, Yu-Shan Lin   +3 more
semanticscholar   +1 more source

Large-Scale Membrane Permeability Prediction of Cyclic Peptides Crossing a Lipid Bilayer Based on Enhanced Sampling Molecular Dynamics Simulations

Journal of Chemical Information and Modeling, 2021
Membrane permeability is a significant obstacle facing the development of cyclic peptide drugs. However, membrane permeation mechanisms are poorly understood.
Masatake Sugita, S. Sugiyama, Takuya Fujie, Yasushi Yoshikawa, Keisuke Yanagisawa, M. Ohue, Y. Akiyama   +6 more
semanticscholar   +1 more source

Passing the Barrier – How Computer Simulations Can Help to Understand and Improve the Passive Membrane Permeability of Cyclic Peptides

CHIMIA, 2021
Proteins with large and flat binding sites as well as protein–protein interactions are considered ' undruggable ' with conventional small-molecule drugs.
Stephanie M. Linker, Shuzhe Wang, Benjamin Ries, Thomas Stadelmann, Serena Riniker   +4 more
doaj   +1 more source

A Review: The Antiviral Activity of Cyclic Peptides

International Journal of Peptide Research and Therapeutics, 2022
In the design and development of therapeutic agents, macromolecules with restricted structures have stronger competitive edges than linear biological entities since cyclization can overcome the limitations of linear structures.
Le Yi Chia, P. V. Kumar, M. A. Maki, Guna Ravichandran, Sivasudha Thilagar   +4 more
semanticscholar   +1 more source

Macrocyclization strategies for cyclic peptides and peptidomimetics

RSC Medicinal Chemistry, 2021
Peptides are a growing therapeutic class due to their unique spatial characteristics that can target traditionally “undruggable” protein–protein interactions and surfaces.
Clément Bechtler, C. Lamers
semanticscholar   +1 more source

Structure prediction of cyclic peptides by molecular dynamics + machine learning

Chemical Science, 2021
Recent computational methods have made strides in discovering well-structured cyclic peptides that preferentially populate a single conformation. However, many successful cyclic-peptide therapeutics adopt multiple conformations in solution.
J. Miao, Marc L. Descoteaux, Yu-Shan Lin
semanticscholar   +1 more source

Enhancing Cell Penetration Efficiency of Cyclic Oligoarginines Using Rigid Scaffolds

Pharmaceutics, 2023
Delivering therapeutic agents into cells has always been a major challenge. In recent years, cyclization emerged as a tool for designing CPPs to increase their internalization and stability.
Csaba Bató, Ildikó Szabó, Zoltán Bánóczi   +2 more
doaj   +1 more source