{"doi":"10.1002/ange.202303755","title":"Supramolecular Peptide Nanostructures Regulate Catalytic Efficiency and Selectivity","abstract":"Abstract We report three constitutionally isomeric tetrapeptides, each comprising one glutamic acid (E) residue, one histidine (H) residue, and two lysine (K S ) residues functionalized with side‐chain hydrophobic S ‐aroylthiooxime (SATO) groups. Depending on the order of amino acids, these amphiphilic peptides self‐assembled in aqueous solution into different nanostructures:nanoribbons, a mixture of nanotoroids and nanoribbons, or nanocoils. Each nanostructure catalyzed hydrolysis of a model substrate, with the nanocoils exhibiting the greatest rate enhancement and the highest enzymatic efficiency. Coarse‐grained molecular dynamics simulations, analyzed with unsupervised machine learning, revealed clusters of H residues in hydrophobic pockets along the outer edge of the nanocoils, providing insight for the observed catalytic rate enhancement. Finally, all three supramolecular nanostructures catalyzed hydrolysis of the l ‐substrate only when a pair of enantiomeric Boc‐ l / d ‐Phe‐ONp substrates were tested. This study highlights how subtle molecular‐level changes can influence supramolecular nanostructures, and ultimately affect catalytic efficiency.","journal":"Angewandte Chemie","year":2023,"id":388259,"datarank":0.0,"base_score":0.0,"endowment":0.0,"self_citation_contribution":0.0,"citation_network_contribution":0.0,"self_endowment_contribution":0.0,"citer_contribution":0.0,"corpus_percentile":null,"corpus_rank":null,"citation_count":1,"citer_count":0,"citers_with_citation_signal":0,"citers_with_endowment":0,"datacite_reuse_total":0,"is_dataset":false,"is_dataset_confidence":0.9533,"is_data_producer":false,"deposit_databanks":null,"is_oa":true,"file_count":0,"downloads":0,"has_version_chain":false,"published_date":"2023-01-01","fair_score":null,"fair_percentile":null,"algorithm_id":"datarank_citation_only_1hop_v6","ranking_scope":"data_only","authors":[{"id":1066671,"name":"Soumil Y. Joshi","orcid":"0000-0003-1531-0098","position":1,"is_corresponding":false},{"id":304538,"name":"Yin Wang","orcid":"0000-0001-6729-7230","position":2,"is_corresponding":false},{"id":1066672,"name":"Sanket A. Deshmukh","orcid":"0000-0001-7573-0057","position":3,"is_corresponding":false},{"id":304541,"name":"John B. Matson","orcid":"0000-0001-7984-5396","position":4,"is_corresponding":false},{"id":1066670,"name":"Li Zhao","orcid":"0000-0003-4562-5613","position":0,"is_corresponding":true}],"reference_count":61,"raw_metadata":null,"created_at":"2026-07-19T01:18:13.977537Z","pmid":null,"pmcid":null,"fwci":null,"citation_percentile":null,"influential_citations":0,"oa_status":null,"license":null,"views":0,"total_file_size_bytes":0,"version_count":0,"fair_f":null,"fair_a":null,"fair_i":null,"fair_r":null,"fair_zscore":null,"fair_rationale":null,"fair_model":null,"fair_agent_version":null,"fair_fulltext_source":null,"fair_has_llm":null,"fair_computed_at":null,"clinical_trials":[],"software_tools":[],"db_accessions":[],"linked_datasets":[],"topics":[]}