Cargando…

Binding of Different Cyclosporin Variants to Micelles Evidenced by NMR and MD Simulations

Peptides play a critical role in the life of organisms, performing completely different functions. The biological activity of some peptides, such as cyclosporins, can be determined by the degree of membrane permeability. Thus, it becomes important to study how the molecule interacts with lipid bilay...

Descripción completa

Detalles Bibliográficos
Autores principales:	Kobchikova, Polina P., Efimov, Sergey V., Klochkov, Vladimir V.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9965255/ https://www.ncbi.nlm.nih.gov/pubmed/36837699 http://dx.doi.org/10.3390/membranes13020196

Ejemplares similares

Charged Small Molecule Binding to Membranes in MD Simulations Evaluated against NMR Experiments
por: Nencini, Ricky, et al.
Publicado: (2022)

Calcium binding of the antifungal protein PAF: Structure, dynamics and function aspects by NMR and MD simulations
por: Fizil, Ádám, et al.
Publicado: (2018)

Conformational Ensembles by NMR and MD Simulations in Model Heptapeptides with Select Tri-Peptide Motifs
por: Krishnan, V. V., et al.
Publicado: (2021)

Nanobody Paratope Ensembles in Solution Characterized by MD Simulations and NMR
por: Fernández-Quintero, Monica L., et al.
Publicado: (2022)

Validation of an MD simulation approach for electrical field responsive micelles and their application in drug delivery
por: Razavi, Leila, et al.
Publicado: (2023)

O-Methylation in Carbohydrates: An NMR and MD Simulation Study with Application to Methylcellulose
por: Ruda, Alessandro, et al.
Publicado: (2021)

The Interaction of Fluorinated Glycomimetics with DC-SIGN: Multiple Binding Modes Disentangled by the Combination of NMR Methods and MD Simulations
por: Martínez, J. Daniel, et al.
Publicado: (2020)

A combination of solid-state NMR and MD simulations reveals the binding mode of a rhomboid protease inhibitor
por: Bohg, Claudia, et al.
Publicado: (2021)

Xenon Dynamics in Ionic Liquids: A Combined NMR and MD Simulation Study
por: Castiglione, Franca, et al.
Publicado: (2020)

Ligand Binding Study of Human PEBP1/RKIP: Interaction with Nucleotides and Raf-1 Peptides Evidenced by NMR and Mass Spectrometry
por: Tavel, Laurette, et al.
Publicado: (2012)

The Structure of the Talin/Integrin Complex at a Lipid Bilayer: An NMR and MD Simulation Study
por: Kalli, Antreas C., et al.
Publicado: (2010)

Protein dynamics at Eph receptor-ligand interfaces as revealed by crystallography, NMR and MD simulations
por: Qin, Haina, et al.
Publicado: (2012)

Stability, safety, and transcorneal mechanistic studies of ophthalmic lyophilized cyclosporine-loaded polymeric micelles
por: Shen, Yan, et al.
Publicado: (2018)

Reverse Micelles As a Platform for Dynamic Nuclear Polarization in Solution NMR of Proteins
por: Valentine, Kathleen G., et al.
Publicado: (2014)

Unique Structure and Dynamics of the EphA5 Ligand Binding Domain Mediate Its Binding Specificity as Revealed by X-ray Crystallography, NMR and MD Simulations
por: Huan, Xuelu, et al.
Publicado: (2013)

Catalytic Etherification of ortho-Phosphoric Acid for the Synthesis of Polyurethane Ionomer Films
por: Davletbaeva, Ilsiya M., et al.
Publicado: (2022)

Hydration studies on the archaeal protein Sso7d using NMR measurements and MD simulations
por: Bernini, Andrea, et al.
Publicado: (2011)

Structural Aspects of the O‐glycosylation Linkage in Glycopeptides via MD Simulations and Comparison with NMR Experiments
por: Turupcu, Aysegül, et al.
Publicado: (2019)

Conformation of the Macrocyclic Drug Lorlatinib in Polar and Nonpolar Environments: A MD Simulation and NMR Study
por: Peng, Cheng, et al.
Publicado: (2019)

Structural, Stability, Dynamic and Binding Properties of the ALS-Causing T46I Mutant of the hVAPB MSP Domain as Revealed by NMR and MD Simulations
por: Lua, Shixiong, et al.
Publicado: (2011)

Localized and Collective Motions in HET‐s(218‐289) Fibrils from Combined NMR Relaxation and MD Simulation
por: Smith, Albert A., et al.
Publicado: (2019)

A detailed picture of a protein–carbohydrate hydrogen-bonding network revealed by NMR and MD simulations
por: Nestor, Gustav, et al.
Publicado: (2020)

Escherichia coli O176 LPS structure and dynamics: A NMR spectroscopy and MD simulation study
por: Patel, Dhilon S., et al.
Publicado: (2020)

Synergistic Applications of MD and NMR for the Study of Biological Systems
por: Fisette, Olivier, et al.
Publicado: (2012)

Preparation and Evaluation of Poly(Ethylene Glycol)–Poly(Lactide) Micelles as Nanocarriers for Oral Delivery of Cyclosporine A
por: Zhang, Yanhui, et al.
Publicado: (2010)

Improving the topical ocular pharmacokinetics of lyophilized cyclosporine A-loaded micelles: formulation, in vitro and in vivo studies
por: Yu, Yinglan, et al.
Publicado: (2018)

Drug-eluting contact lens containing cyclosporine-loaded cholesterol-hyaluronate micelles for dry eye syndrome
por: Mun, Jonghwan, et al.
Publicado: (2019)

Pathological Aspects of Neuronal Hyperploidization in Alzheimer’s Disease Evidenced by Computer Simulation
por: Barrio-Alonso, Estíbaliz, et al.
Publicado: (2020)

Pervaporation Polyurethane Membranes Based on Hyperbranched Organoboron Polyols
por: Davletbaeva, Ilsiya M., et al.
Publicado: (2022)

NMR spectra and electrochemical behavior of catechol-bearing block copolymer micelles
por: Hasegawa, Urara, et al.
Publicado: (2015)

Dynamic Allostery in PLCγ1 and Its Modulation by a Cancer Mutation Revealed by MD Simulation and NMR
por: Koss, Hans, et al.
Publicado: (2018)

High-Resolution Conformational Analysis of RGDechi-Derived Peptides Based on a Combination of NMR Spectroscopy and MD Simulations
por: Acconcia, Clementina, et al.
Publicado: (2022)

Aromatic ring flips in differently packed ubiquitin protein crystals from MAS NMR and MD
por: Gauto, Diego F., et al.
Publicado: (2022)

NMR and MD Analysis of the Bonding Interaction of Vancomycin with Muramyl Pentapeptide
por: Ślusarz, Rafał, et al.
Publicado: (2022)

Novel polygenetic variants evidenced in a patient with Jervell and Lange-Nielsen syndrome
por: Cepeda-Nieto, Ana Cecilia, et al.
Publicado: (2021)

Conformational Properties of α- or β-(1→6)-Linked Oligosaccharides: Hamiltonian Replica Exchange MD Simulations and NMR Experiments
por: Patel, Dhilon S., et al.
Publicado: (2014)

HT-SuMD: making molecular dynamics simulations suitable for fragment-based screening. A comparative study with NMR
por: Ferrari, Francesca, et al.
Publicado: (2020)

Silicas with Polyoxyethylene Branches for Modification of Membranes Based on Microporous Block Copolymers
por: Davletbaeva, Ilsiya M., et al.
Publicado: (2023)

Fibrin-binding, peptide amphiphile micelles for targeting glioblastoma(☆)
por: Chung, Eun Ji, et al.
Publicado: (2013)

Accurate Binding Free Energy Method from End-State MD Simulations
por: Akkus, Ebru, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_3s3a2a5ro5ok62n09akjt00b0b