Cargando…

Refinement of SARS-CoV-2 envelope protein structure in a native-like environment by molecular dynamics simulations

COVID-19 has become an unprecedented threat to human health. The SARS-CoV-2 envelope (E) protein plays a critical role in the viral maturation process and pathogenesis. Despite intensive investigation, its structure in physiological conditions remains mysterious: no high-resolution full-length struc...

Descripción completa

Detalles Bibliográficos
Autores principales:	Yang, Rui, Wu, Sijin, Wang, Shen, Rubino, Grace, Nickels, Jonathan D., Cheng, Xiaolin
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2022
Materias:	Molecular Biosciences
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9589232/ https://www.ncbi.nlm.nih.gov/pubmed/36299297 http://dx.doi.org/10.3389/fmolb.2022.1027223

Ejemplares similares

In silico design of refined ferritin-SARS-CoV-2 glyco-RBD nanoparticle vaccine
por: Masoomi Nomandan, Seyedeh Zeinab, et al.
Publicado: (2022)

Modeling Crowded Environment in Molecular Simulations
por: Ostrowska, Natalia, et al.
Publicado: (2019)

Insights Into Dynamics of Inhibitor and Ubiquitin-Like Protein Binding in SARS-CoV-2 Papain-Like Protease
por: Bosken, Yuliana K., et al.
Publicado: (2020)

Improvement of native structure-based peptides as efficient inhibitors of protein-protein interactions of SARS-CoV-2 spike protein and human ACE2
por: Odolczyk, Norbert, et al.
Publicado: (2022)

Investigation of the Effect of Temperature on the Structure of SARS-CoV-2 Spike Protein by Molecular Dynamics Simulations
por: Rath, Soumya Lipsa, et al.
Publicado: (2020)

Disordered Peptides Looking for Their Native Environment: Structural Basis of CB1 Endocannabinoid Receptor Binding to Pepcans
por: Emendato, Alessandro, et al.
Publicado: (2018)

Phosphorylation of the Hepatitis B Virus Large Envelope Protein
por: Fogeron, Marie-Laure, et al.
Publicado: (2022)

Editorial: Interaction of Biomolecules and Bioactive Compounds With the SARS-CoV-2 Proteins: Molecular Simulations for the Fight Against Covid-19
por: Falconi, Mattia, et al.
Publicado: (2022)

Molecular Dynamics Simulations Reveal the Interaction Fingerprint of Remdesivir Triphosphate Pivotal in Allosteric Regulation of SARS-CoV-2 RdRp
por: Srivastava, Mitul, et al.
Publicado: (2021)

Dual Regulation of Phosphatidylserine Decarboxylase Expression by Envelope Stress Responses
por: Hassoun, Yasmine, et al.
Publicado: (2021)

Non-RBM Mutations Impaired SARS-CoV-2 Spike Protein Regulated to the ACE2 Receptor Based on Molecular Dynamic Simulation
por: Du, Yaoqiang, et al.
Publicado: (2021)

Identification of novel inhibitors for SARS-CoV-2 as therapeutic options using machine learning-based virtual screening, molecular docking and MD simulation
por: Samad, Abdus, et al.
Publicado: (2023)

Refinement of α-Synuclein Ensembles Against SAXS Data: Comparison of Force Fields and Methods
por: Ahmed, Mustapha Carab, et al.
Publicado: (2021)

Water Accessibility Refinement of the Extended Structure of KirBac1.1 in the Closed State
por: Amani, Reza, et al.
Publicado: (2021)

Spike Proteins of SARS-CoV and SARS-CoV-2 Utilize Different Mechanisms to Bind With Human ACE2
por: Xie, Yixin, et al.
Publicado: (2020)

Computational Saturation Mutagenesis of SARS-CoV-1 Spike Glycoprotein: Stability, Binding Affinity, and Comparison With SARS-CoV-2
por: Sobitan, Adebiyi, et al.
Publicado: (2021)

SARS-CoV-2 and Glutamine: SARS-CoV-2 Triggered Pathogenesis via Metabolic Reprograming of Glutamine in Host Cells
por: Bharadwaj, Shiv, et al.
Publicado: (2021)

Divergently Transcribed ncRNAs in Escherichia coli: Refinement of the Transcription Starts Assumes Functional Diversification
por: Kiselev, Sergey, et al.
Publicado: (2021)

The Protein Chaperone ClpX Targets Native and Non-native Aggregated Substrates for Remodeling, Disassembly, and Degradation with ClpP
por: LaBreck, Christopher J., et al.
Publicado: (2017)

Evaluation of Clove Phytochemicals as Potential Antiviral Drug Candidates Targeting SARS-CoV-2 Main Protease: Computational Docking, Molecular Dynamics Simulation, and Pharmacokinetic Profiling
por: Chandra Manivannan, Arun, et al.
Publicado: (2022)

SARS-CoV-2 Virion Stabilization by Zn Binding
por: Morante, Silvia, et al.
Publicado: (2020)

Drug Weaponry to Fight Against SARS-CoV-2
por: Cabezón, Elena, et al.
Publicado: (2020)

Antibodies and Vaccines Target RBD of SARS-CoV-2
por: Min, Long, et al.
Publicado: (2021)

Modeling of the thermal properties of SARS-CoV-2 S-protein
por: Niu, Ziyuan, et al.
Publicado: (2022)

Computational Study of the Ion and Water Permeation and Transport Mechanisms of the SARS-CoV-2 Pentameric E Protein Channel
por: Cao, Yipeng, et al.
Publicado: (2020)

Phosphorylation and Alternative Translation on Wheat Germ Cell-Free Protein Synthesis of the DHBV Large Envelope Protein
por: David, Guillaume, et al.
Publicado: (2019)

Circulating Exosomes Are Strongly Involved in SARS-CoV-2 Infection
por: Barberis, Elettra, et al.
Publicado: (2021)

High-Throughput Native Mass Spectrometry Screening in Drug Discovery
por: Gavriilidou, Agni F. M., et al.
Publicado: (2022)

ACE2 in the Era of SARS-CoV-2: Controversies and Novel Perspectives
por: Saponaro, Federica, et al.
Publicado: (2020)

A Multi-Targeting Approach to Fight SARS-CoV-2 Attachment
por: Pirone, Luciano, et al.
Publicado: (2020)

Molecular Mechanisms Behind Anti SARS-CoV-2 Action of Lactoferrin
por: Miotto, Mattia, et al.
Publicado: (2021)

Tuftsin: A Natural Molecule Against SARS-CoV-2 Infection
por: Huang, Jiahao, et al.
Publicado: (2022)

Phase Separation Drives SARS-CoV-2 Replication: A Hypothesis
por: Vandelli, Andrea, et al.
Publicado: (2022)

Structural understanding of SARS-CoV-2 virus entry to host cells
por: Le, Kim, et al.
Publicado: (2023)

Computational study of the binding orientation and affinity of noncovalent inhibitors of the papain-like protease (PLpro) from SARS-CoV-1 considering the protein flexibility by using molecular dynamics and cross-docking
por: Castillo-Campos, Luis, et al.
Publicado: (2023)

Identifying Pathways and Networks Associated With the SARS-CoV-2 Cell Receptor ACE2 Based on Gene Expression Profiles in Normal and SARS-CoV-2-Infected Human Tissues
por: Feng, Qiushi, et al.
Publicado: (2020)

Deletion of BST2 Cytoplasmic and Transmembrane N-Terminal Domains Results in SARS-CoV, SARS-CoV-2, and Influenza Virus Production Suppression in a Vero Cell Line
por: Dolskiy, Alexander A., et al.
Publicado: (2020)

Heparan Sulfate Facilitates Spike Protein-Mediated SARS-CoV-2 Host Cell Invasion and Contributes to Increased Infection of SARS-CoV-2 G614 Mutant and in Lung Cancer
por: Yue, Jingwen, et al.
Publicado: (2021)

Combining docking, molecular dynamics simulations, AD-MET pharmacokinetics properties, and MMGBSA calculations to create specialized protocols for running effective virtual screening campaigns on the autoimmune disorder and SARS-CoV-2 main protease
por: Edache, Emmanuel Israel, et al.
Publicado: (2023)

Ferroptosis-related gene signature predicts the clinical outcome in pediatric acute myeloid leukemia patients and refines the 2017 ELN classification system
por: Tao, Yu, et al.
Publicado: (2022)

Cannot write session to /tmp/vufind_sessions/sess_gbhd4vsfkbs3cj9j1uk4v00gb1