De Novo Design of Envelope-Targeting Antiviral Peptide Drugs

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The proposal aims to develop novel peptide-based antiviral drugs that target the viral envelope, which is a vulnerable structure necessary for viral infection. The goal is to design peptides that selectively target the viral envelope without affecting host cell membranes, while also exhibiting high potency against enveloped viruses and low cytotoxicity against mammalian cells. The proposal employs an innovative approach that combines evolutionary algorithms with high-throughput molecular dynamics simulations to optimize peptide sequences with feedback from viral infectivity and liposome dye leakage assays. The ultimate objective is to develop broad-spectrum antiviral peptide drugs that can combat a wide range of viral pathogens, including emerging and re-emerging viruses.