{"id":"https://openalex.org/W4389323757","doi":"https://doi.org/10.1021/acs.jcim.3c01385","title":"Efficient Computational Framework for Target-Specific Active Peptide Discovery: A Case Study on IL-17C Targeting Cyclic Peptides","display_name":"Efficient Computational Framework for Target-Specific Active Peptide Discovery: A Case Study on IL-17C Targeting Cyclic Peptides","publication_year":2023,"publication_date":"2023-12-04","ids":{"openalex":"https://openalex.org/W4389323757","doi":"https://doi.org/10.1021/acs.jcim.3c01385","pmid":"https://pubmed.ncbi.nlm.nih.gov/38049371"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.3c01385","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c01385","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5034565668","display_name":"Zhipeng Wu","orcid":"https://orcid.org/0000-0003-3535-1081"},"institutions":[{"id":"https://openalex.org/I55712492","display_name":"Zhejiang University of Technology","ror":"https://ror.org/02djqfd08","country_code":"CN","type":"education","lineage":["https://openalex.org/I55712492"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhipeng Wu","raw_affiliation_strings":["Artificial Intelligence Aided Drug Discovery Institute, College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310014, China"],"raw_orcid":"https://orcid.org/0000-0003-3535-1081","affiliations":[{"raw_affiliation_string":"Artificial Intelligence Aided Drug Discovery Institute, College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310014, China","institution_ids":["https://openalex.org/I55712492"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007801562","display_name":"Yejian Wu","orcid":"https://orcid.org/0000-0002-9581-2479"},"institutions":[{"id":"https://openalex.org/I55712492","display_name":"Zhejiang University of Technology","ror":"https://ror.org/02djqfd08","country_code":"CN","type":"education","lineage":["https://openalex.org/I55712492"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yejian Wu","raw_affiliation_strings":["Artificial Intelligence Aided Drug Discovery Institute, College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310014, China"],"raw_orcid":"https://orcid.org/0000-0002-9581-2479","affiliations":[{"raw_affiliation_string":"Artificial Intelligence Aided Drug Discovery Institute, College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310014, China","institution_ids":["https://openalex.org/I55712492"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Cheng Zhu","orcid":null},"institutions":[{"id":"https://openalex.org/I55712492","display_name":"Zhejiang University of Technology","ror":"https://ror.org/02djqfd08","country_code":"CN","type":"education","lineage":["https://openalex.org/I55712492"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Cheng Zhu","raw_affiliation_strings":["Artificial Intelligence Aided Drug Discovery Institute, College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310014, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Artificial Intelligence Aided Drug Discovery Institute, College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310014, China","institution_ids":["https://openalex.org/I55712492"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5050874864","display_name":"Xinyi Wu","orcid":"https://orcid.org/0000-0003-2365-6574"},"institutions":[{"id":"https://openalex.org/I55712492","display_name":"Zhejiang University of Technology","ror":"https://ror.org/02djqfd08","country_code":"CN","type":"education","lineage":["https://openalex.org/I55712492"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xinyi Wu","raw_affiliation_strings":["Artificial Intelligence Aided Drug Discovery Institute, College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310014, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Artificial Intelligence Aided Drug Discovery Institute, College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310014, China","institution_ids":["https://openalex.org/I55712492"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051747196","display_name":"Silong Zhai","orcid":"https://orcid.org/0000-0001-5102-3446"},"institutions":[{"id":"https://openalex.org/I55712492","display_name":"Zhejiang University of Technology","ror":"https://ror.org/02djqfd08","country_code":"CN","type":"education","lineage":["https://openalex.org/I55712492"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Silong Zhai","raw_affiliation_strings":["Artificial Intelligence Aided Drug Discovery Institute, College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310014, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Artificial Intelligence Aided Drug Discovery Institute, College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310014, China","institution_ids":["https://openalex.org/I55712492"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005102596","display_name":"Xinqiao Wang","orcid":"https://orcid.org/0000-0001-6071-832X"},"institutions":[{"id":"https://openalex.org/I55712492","display_name":"Zhejiang University of Technology","ror":"https://ror.org/02djqfd08","country_code":"CN","type":"education","lineage":["https://openalex.org/I55712492"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xinqiao Wang","raw_affiliation_strings":["Artificial Intelligence Aided Drug Discovery Institute, College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310014, China"],"raw_orcid":"https://orcid.org/0000-0001-6071-832X","affiliations":[{"raw_affiliation_string":"Artificial Intelligence Aided Drug Discovery Institute, College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310014, China","institution_ids":["https://openalex.org/I55712492"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5027035208","display_name":"Zhihao Su","orcid":null},"institutions":[{"id":"https://openalex.org/I55712492","display_name":"Zhejiang University of Technology","ror":"https://ror.org/02djqfd08","country_code":"CN","type":"education","lineage":["https://openalex.org/I55712492"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhihao Su","raw_affiliation_strings":["Artificial Intelligence Aided Drug Discovery Institute, College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310014, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Artificial Intelligence Aided Drug Discovery Institute, College of Pharmaceutical Sciences, Zhejiang University of Technology, Hangzhou 310014, China","institution_ids":["https://openalex.org/I55712492"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5017761454","display_name":"Hongliang Duan","orcid":"https://orcid.org/0000-0002-9194-0115"},"institutions":[{"id":"https://openalex.org/I49835588","display_name":"Macao Polytechnic University","ror":"https://ror.org/02sf5td35","country_code":"MO","type":"education","lineage":["https://openalex.org/I49835588"]}],"countries":["MO"],"is_corresponding":true,"raw_author_name":"Hongliang Duan","raw_affiliation_strings":["Faculty of Applied Sciences, Macao Polytechnic University, Macao 999078, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Faculty of Applied Sciences, Macao Polytechnic University, Macao 999078, China","institution_ids":["https://openalex.org/I49835588"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":8,"corresponding_author_ids":["https://openalex.org/A5017761454"],"corresponding_institution_ids":["https://openalex.org/I49835588"],"apc_list":null,"apc_paid":null,"fwci":0.4498,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.68036498,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":97},"biblio":{"volume":"63","issue":"24","first_page":"7655","last_page":"7668"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12576","display_name":"vaccines and immunoinformatics approaches","score":0.9991999864578247,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T12576","display_name":"vaccines and immunoinformatics approaches","score":0.9991999864578247,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10521","display_name":"RNA and protein synthesis mechanisms","score":0.9976999759674072,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12254","display_name":"Machine Learning in Bioinformatics","score":0.9975000023841858,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/peptide","display_name":"Peptide","score":0.6671229004859924},{"id":"https://openalex.org/keywords/autoencoder","display_name":"Autoencoder","score":0.6633870601654053},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.6489731073379517},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.576554536819458},{"id":"https://openalex.org/keywords/cyclic-peptide","display_name":"Cyclic peptide","score":0.5438999533653259},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.43986061215400696},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.33785372972488403},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.3284972310066223},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.326659619808197},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.26347801089286804},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.26194941997528076}],"concepts":[{"id":"https://openalex.org/C2779281246","wikidata":"https://www.wikidata.org/wiki/Q172847","display_name":"Peptide","level":2,"score":0.6671229004859924},{"id":"https://openalex.org/C101738243","wikidata":"https://www.wikidata.org/wiki/Q786435","display_name":"Autoencoder","level":3,"score":0.6633870601654053},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.6489731073379517},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.576554536819458},{"id":"https://openalex.org/C60984968","wikidata":"https://www.wikidata.org/wiki/Q389172","display_name":"Cyclic peptide","level":3,"score":0.5438999533653259},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.43986061215400696},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.33785372972488403},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.3284972310066223},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.326659619808197},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.26347801089286804},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.26194941997528076}],"mesh":[{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010455","descriptor_name":"Peptides","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010456","descriptor_name":"Peptides, Cyclic","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D010456","descriptor_name":"Peptides, Cyclic","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D010456","descriptor_name":"Peptides, Cyclic","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D010456","descriptor_name":"Peptides, Cyclic","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D020381","descriptor_name":"Interleukin-17","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D020381","descriptor_name":"Interleukin-17","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D020381","descriptor_name":"Interleukin-17","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D020381","descriptor_name":"Interleukin-17","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.3c01385","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c01385","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:38049371","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38049371","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Industry, innovation and infrastructure","id":"https://metadata.un.org/sdg/9","score":0.5400000214576721}],"awards":[{"id":"https://openalex.org/G7984182621","display_name":null,"funder_award_id":"LD22H300004","funder_id":"https://openalex.org/F4320338464","funder_display_name":"Natural Science Foundation of Zhejiang Province"}],"funders":[{"id":"https://openalex.org/F4320338464","display_name":"Natural Science Foundation of Zhejiang Province","ror":"https://ror.org/01h0zpd94"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":72,"referenced_works":["https://openalex.org/W178485974","https://openalex.org/W1486212524","https://openalex.org/W1968375523","https://openalex.org/W1975147762","https://openalex.org/W1981976602","https://openalex.org/W1993132740","https://openalex.org/W2009605433","https://openalex.org/W2019678439","https://openalex.org/W2025589194","https://openalex.org/W2041755933","https://openalex.org/W2063822856","https://openalex.org/W2095727900","https://openalex.org/W2118911320","https://openalex.org/W2156279557","https://openalex.org/W2170747616","https://openalex.org/W2280294408","https://openalex.org/W2295598076","https://openalex.org/W2327035729","https://openalex.org/W2342352817","https://openalex.org/W2560677837","https://openalex.org/W2618625858","https://openalex.org/W2739354616","https://openalex.org/W2739999456","https://openalex.org/W2773987374","https://openalex.org/W2789092379","https://openalex.org/W2790102940","https://openalex.org/W2791848964","https://openalex.org/W2792378492","https://openalex.org/W2796712624","https://openalex.org/W2808199968","https://openalex.org/W2900111464","https://openalex.org/W2905629607","https://openalex.org/W2915626801","https://openalex.org/W2919115771","https://openalex.org/W2943935116","https://openalex.org/W2948261638","https://openalex.org/W2950955377","https://openalex.org/W2957180077","https://openalex.org/W2963609389","https://openalex.org/W2963626582","https://openalex.org/W2971874382","https://openalex.org/W3023211159","https://openalex.org/W3042130878","https://openalex.org/W3081615418","https://openalex.org/W3087692915","https://openalex.org/W3091899249","https://openalex.org/W3092557781","https://openalex.org/W3094502228","https://openalex.org/W3100751385","https://openalex.org/W3110154150","https://openalex.org/W3117879109","https://openalex.org/W3127297964","https://openalex.org/W3128458796","https://openalex.org/W3135130381","https://openalex.org/W3139686515","https://openalex.org/W3140854437","https://openalex.org/W3153418506","https://openalex.org/W3159343835","https://openalex.org/W3162717041","https://openalex.org/W3173256003","https://openalex.org/W3196507771","https://openalex.org/W3207969687","https://openalex.org/W4212959738","https://openalex.org/W4226148785","https://openalex.org/W4229028232","https://openalex.org/W4287921735","https://openalex.org/W4288036349","https://openalex.org/W4307361029","https://openalex.org/W4309234906","https://openalex.org/W4311707655","https://openalex.org/W4360946940","https://openalex.org/W4385245566"],"related_works":["https://openalex.org/W2589939877","https://openalex.org/W2081553665","https://openalex.org/W2892113376","https://openalex.org/W2030585732","https://openalex.org/W3012180934","https://openalex.org/W2078683866","https://openalex.org/W2013003323","https://openalex.org/W2063421454","https://openalex.org/W2088029223","https://openalex.org/W1981076832"],"abstract_inverted_index":{"The":[0,78],"development":[1],"of":[2,29,119,145],"potentially":[3,91],"active":[4,30,64,92,134],"peptides":[5,31,93,105],"for":[6,11,26,114,132],"specific":[7,34],"targets":[8],"is":[9,81,138],"critical":[10],"the":[12,27,51,84,95,99,108,143],"modern":[13],"pharmaceutical":[14],"industry's":[15],"growth.":[16],"In":[17,57],"this":[18],"study,":[19],"we":[20,61],"present":[21],"an":[22,63],"efficient":[23],"computational":[24],"framework":[25],"discovery":[28],"targeting":[32,68],"a":[33,39,45,72,130],"pharmacological":[35],"target,":[36],"which":[37,137],"combines":[38],"conditional":[40],"variational":[41],"autoencoder":[42],"(CVAE)":[43],"and":[44,53,94,112,117],"classifier":[46],"named":[47],"TCPP":[48,96],"based":[49],"on":[50,83],"Transformer":[52],"convolutional":[54],"neural":[55],"network.":[56],"our":[58],"example":[59],"scenario,":[60],"constructed":[62],"cyclic":[65],"peptide":[66,86,135,146],"library":[67],"interleukin-17C":[69],"(IL-17C)":[70],"through":[71],"library-based":[73],"in":[74],"vitro":[75],"selection":[76],"strategy.":[77],"CVAE":[79],"model":[80,109],"trained":[82],"preprocessed":[85],"data":[87],"sets":[88],"to":[89,125,140],"generate":[90],"further":[97],"screens":[98],"generated":[100],"peptides.":[101],"Ultimately,":[102],"six":[103],"candidate":[104],"predicted":[106],"by":[107],"were":[110],"synthesized":[111],"assayed":[113],"their":[115],"activity,":[116],"four":[118],"them":[120],"exhibited":[121],"promising":[122],"binding":[123],"affinity":[124],"IL-17C.":[126],"Our":[127],"study":[128],"provides":[129],"one-stop-shop":[131],"target-specific":[133],"discovery,":[136],"expected":[139],"boost":[141],"up":[142],"process":[144],"drug":[147],"development.":[148]},"counts_by_year":[{"year":2025,"cited_by_count":3}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}
