Development, validation and analysis of a human profurin 3D model using comparative modeling and molecular dynamics simulations

The emergence of new viruses can lead to the outbreak of pandemics as occurred at the end of 2019 with the coronavirus disease (or COVID-19). The fastest way to effectively control viral infections is to develop broad-spectrum antivirals that can fight at least an entire class of viruses. Profurin,...

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Bibliographic Details
Published in:	Journal of biomolecular structure & dynamics Vol. 42; no. 10; pp. 5428 - 5446
Main Authors:	Ferrari, Brenda de Souza, Lima, Camilo Henrique da Silva, Albuquerque, Magaly Girão
Format:	Journal Article
Language:	English
Published:	England Taylor & Francis 02.07.2024
Subjects:	Antiviral Agents - chemistry Antiviral Agents - pharmacology broad spectrum antivirals comparative modeling COVID-19 - virology force fields Furin - chemistry Furin - metabolism Humans Molecular Docking Simulation molecular dynamics Molecular Dynamics Simulation Profurin Protein Binding Protein Conformation SARS-CoV-2 - drug effects viral infections Profurin viral infections broad spectrum antivirals comparative modeling molecular dynamics force fields
ISSN:	0739-1102, 1538-0254, 1538-0254
Online Access:	Get full text
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