CYCLOPEp: a computational platform for the design of therapeutic cyclic peptides through computational simulations, Big Data analysis and Artificial Intelligence

Antimicrobial resistance is a critical global health challenge, associated with over one million deaths in 2019 and projected to cause up to 10 million annually by 2050. This crisis stems from antibiotic misuse, which drives bacteria to evolve resistance mechanisms. Because traditional antibiotics t...

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Detalhes bibliográficos
Autor: Cabezón Vizoso, Alfonso
Tipo de documento: tese
Data de publicação:2026
País:España
Recursos:Universidad de Santiago de Compostela (USC)
Repositório:Minerva. Repositorio Institucional de la Universidad de Santiago de Compostela
Idioma:inglês
OAI Identifier:oai:dnet:minerva_____::cb14d8afca60062a7f40b926701dc5a2
Acesso em linha:https://hdl.handle.net/10347/47293
Access Level:Acceso aberto
Palavra-chave:Molecular Dynamics
Cyclic Peptides
Artificial Intelligence
Lipid Membranes
230224 Péptidos
230226 Bioquímica física
Descrição
Resumo:Antimicrobial resistance is a critical global health challenge, associated with over one million deaths in 2019 and projected to cause up to 10 million annually by 2050. This crisis stems from antibiotic misuse, which drives bacteria to evolve resistance mechanisms. Because traditional antibiotics target specific cellular processes that bacteria can bypass, a paradigm shift in drug design is essential. Bacterial membranes offer a promising alternative target due to their unique lipid composition; unlike neutral eukaryotic membranes, bacterial membranes are rich in anionic lipids. This allows for the design of antimicrobial peptides that selectively attack these negatively charged surfaces. However, the therapeutic use of such peptides is often limited by poor stability and low bioavailability.