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Computational discovery of SARS-CoV-2 viral entry inhibitory peptides from Androctonus mauretanicus scorpion venom: molecular docking and molecular dynamics simulations targeting the spike protein

Background and ObjectiveWhile vaccination remains central to controlling the COVID-19 pandemic, the emergence of SARS-CoV-2 variants with partial resistance to immune responses has highlighted the need for complementary therapeutic strategies. Among these, antiviral agents that inhibit viral entry m...

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Principais autores: Reda Chahir, Salaheddine Redouane, Jacob Galan, Hicham Hboub, Lahoussaine Aserrar, Salma Chakir, Ahmed Salim Lahlou, Hinde Aassila, Rachid El Fatimy, Naoual Oukkache
Formato: Artigo
Idioma:Inglês
Publicado: Frontiers Media S.A. 2026-03-01
Series:Frontiers in Bioinformatics
Assuntos:
Androctonus mauretanicus
antiviral agents
COVID-19
molecular docking
molecular dynamics
SARS-CoV-2
Acceso en liña:https://www.frontiersin.org/articles/10.3389/fbinf.2026.1677524/full
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