{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["36(3)"],"submitter":["Kliuchnikov E"],"pubmed_abstract":["We combined circular dichroism (CD) and viscosity measurements with molecular dynamics (MD) simulations and classification and regression approaches to machine learning to characterize solution structures of 22-mer, 25-mer, and 30-mer peptide- (-GlyArg6) conjugated phosphorodiamidate morpholino oligonucleotides (PPMOs). PPMO molecules form non-canonical folded structures with 1.4- to 1.5-nm radius of gyration, 4-6 base pairs and 5-11 base stacks, characterized by -49 to -71 kcal/mol free energy of folding. The 4.5-6.1 cm<sup>3</sup>/g intrinsic viscosity and Huggins constant of 4.5-9.7 indicate PPMO-PPMO interactions at higher concentrations. The random-coil 3'-end conjugated -GlyArg<sub>6</sub> portion does not alter molecular properties of phosphorodiamidate morpholino oligonucleotide (P"],"journal":["Molecular therapy. Nucleic acids"],"pagination":["102685"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12408397"],"repository":["biostudies-literature"],"pubmed_title":["Molecular properties and intramolecular interactions of peptide-conjugated phosphorodiamidate morpholino oligonucleotides."],"pmcid":["PMC12408397"],"pubmed_authors":["Maksudov F","Pierson D","Barsegov V","Chanda A","Kliuchnikov E","Marx KA"],"additional_accession":[]},"is_claimable":false,"name":"Molecular properties and intramolecular interactions of peptide-conjugated phosphorodiamidate morpholino oligonucleotides.","description":"We combined circular dichroism (CD) and viscosity measurements with molecular dynamics (MD) simulations and classification and regression approaches to machine learning to characterize solution structures of 22-mer, 25-mer, and 30-mer peptide- (-GlyArg6) conjugated phosphorodiamidate morpholino oligonucleotides (PPMOs). PPMO molecules form non-canonical folded structures with 1.4- to 1.5-nm radius of gyration, 4-6 base pairs and 5-11 base stacks, characterized by -49 to -71 kcal/mol free energy of folding. The 4.5-6.1 cm<sup>3</sup>/g intrinsic viscosity and Huggins constant of 4.5-9.7 indicate PPMO-PPMO interactions at higher concentrations. The random-coil 3'-end conjugated -GlyArg<sub>6</sub> portion does not alter molecular properties of phosphorodiamidate morpholino oligonucleotide (P","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Sep","modification":"2026-06-03T02:52:42.269Z","creation":"2026-04-23T03:12:50.814Z"},"accession":"S-EPMC12408397","cross_references":{"pubmed":["40917895"],"doi":["10.1016/j.omtn.2025.102685"]}}