{"id":"https://openalex.org/W7157530641","doi":"https://doi.org/10.1186/s12859-026-06449-5","title":"A multi-target drug design method based on target feature fusion","display_name":"A multi-target drug design method based on target feature fusion","publication_year":2026,"publication_date":"2026-04-29","ids":{"openalex":"https://openalex.org/W7157530641","doi":"https://doi.org/10.1186/s12859-026-06449-5","pmid":"https://pubmed.ncbi.nlm.nih.gov/42050404"},"language":"en","primary_location":{"id":"doi:10.1186/s12859-026-06449-5","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s12859-026-06449-5","pdf_url":"https://link.springer.com/content/pdf/10.1186/s12859-026-06449-5.pdf","source":{"id":"https://openalex.org/S19032547","display_name":"BMC Bioinformatics","issn_l":"1471-2105","issn":["1471-2105"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"BMC Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://link.springer.com/content/pdf/10.1186/s12859-026-06449-5.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5100449218","display_name":"Haoran Liu","orcid":"https://orcid.org/0000-0001-6829-2650"},"institutions":[{"id":"https://openalex.org/I43922553","display_name":"Wuhan University of Science and Technology","ror":"https://ror.org/00e4hrk88","country_code":"CN","type":"education","lineage":["https://openalex.org/I43922553"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Haoran Liu","raw_affiliation_strings":["Hubei Key Laboratory of Intelligent Information Processing and Real-Time Industrial System, School of Computer Science and Technology, Wuhan University of Science and Technology, Wuhan, Hubei, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hubei Key Laboratory of Intelligent Information Processing and Real-Time Industrial System, School of Computer Science and Technology, Wuhan University of Science and Technology, Wuhan, Hubei, China","institution_ids":["https://openalex.org/I43922553"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5134832999","display_name":"Xiaoli Lin","orcid":null},"institutions":[{"id":"https://openalex.org/I43922553","display_name":"Wuhan University of Science and Technology","ror":"https://ror.org/00e4hrk88","country_code":"CN","type":"education","lineage":["https://openalex.org/I43922553"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiaoli Lin","raw_affiliation_strings":["Hubei Key Laboratory of Intelligent Information Processing and Real-Time Industrial System, School of Computer Science and Technology, Wuhan University of Science and Technology, Wuhan, Hubei, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hubei Key Laboratory of Intelligent Information Processing and Real-Time Industrial System, School of Computer Science and Technology, Wuhan University of Science and Technology, Wuhan, Hubei, China","institution_ids":["https://openalex.org/I43922553"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5134867771","display_name":"Jing Hu","orcid":null},"institutions":[{"id":"https://openalex.org/I43922553","display_name":"Wuhan University of Science and Technology","ror":"https://ror.org/00e4hrk88","country_code":"CN","type":"education","lineage":["https://openalex.org/I43922553"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jing Hu","raw_affiliation_strings":["Hubei Key Laboratory of Intelligent Information Processing and Real-Time Industrial System, School of Computer Science and Technology, Wuhan University of Science and Technology, Wuhan, Hubei, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hubei Key Laboratory of Intelligent Information Processing and Real-Time Industrial System, School of Computer Science and Technology, Wuhan University of Science and Technology, Wuhan, Hubei, China","institution_ids":["https://openalex.org/I43922553"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5134836729","display_name":"Xiaolong Zhang","orcid":null},"institutions":[{"id":"https://openalex.org/I43922553","display_name":"Wuhan University of Science and Technology","ror":"https://ror.org/00e4hrk88","country_code":"CN","type":"education","lineage":["https://openalex.org/I43922553"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Xiaolong Zhang","raw_affiliation_strings":["Hubei Key Laboratory of Intelligent Information Processing and Real-Time Industrial System, School of Computer Science and Technology, Wuhan University of Science and Technology, Wuhan, Hubei, China. xiaolong.zhang@wust.edu.cn"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hubei Key Laboratory of Intelligent Information Processing and Real-Time Industrial System, School of Computer Science and Technology, Wuhan University of Science and Technology, Wuhan, Hubei, China. xiaolong.zhang@wust.edu.cn","institution_ids":["https://openalex.org/I43922553"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5134836729"],"corresponding_institution_ids":["https://openalex.org/I43922553"],"apc_list":{"value":2790,"currency":"USD","value_usd":2790},"apc_paid":{"value":2790,"currency":"USD","value_usd":2790},"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.52902181,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"27","issue":"1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.7911999821662903,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.7911999821662903,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12254","display_name":"Machine Learning in Bioinformatics","score":0.02969999983906746,"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/T12859","display_name":"Cell Image Analysis Techniques","score":0.023099999874830246,"subfield":{"id":"https://openalex.org/subfields/1304","display_name":"Biophysics"},"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/drug","display_name":"Drug","score":0.6312000155448914},{"id":"https://openalex.org/keywords/feature","display_name":"Feature (linguistics)","score":0.5871999859809875},{"id":"https://openalex.org/keywords/drug-target","display_name":"Drug target","score":0.5340999960899353},{"id":"https://openalex.org/keywords/drug-development","display_name":"Drug development","score":0.5084999799728394},{"id":"https://openalex.org/keywords/similarity","display_name":"Similarity (geometry)","score":0.47929999232292175},{"id":"https://openalex.org/keywords/target-protein","display_name":"Target protein","score":0.3521000146865845}],"concepts":[{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.6312000155448914},{"id":"https://openalex.org/C2776401178","wikidata":"https://www.wikidata.org/wiki/Q12050496","display_name":"Feature (linguistics)","level":2,"score":0.5871999859809875},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5364999771118164},{"id":"https://openalex.org/C2989108626","wikidata":"https://www.wikidata.org/wiki/Q904407","display_name":"Drug target","level":2,"score":0.5340999960899353},{"id":"https://openalex.org/C64903051","wikidata":"https://www.wikidata.org/wiki/Q2198549","display_name":"Drug development","level":3,"score":0.5084999799728394},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5077000260353088},{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.47929999232292175},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.366100013256073},{"id":"https://openalex.org/C2780430158","wikidata":"https://www.wikidata.org/wiki/Q7685902","display_name":"Target protein","level":3,"score":0.3521000146865845},{"id":"https://openalex.org/C192071366","wikidata":"https://www.wikidata.org/wiki/Q2991682","display_name":"Drug design","level":2,"score":0.32850000262260437},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.3125999867916107},{"id":"https://openalex.org/C2777494893","wikidata":"https://www.wikidata.org/wiki/Q4781752","display_name":"Approved drug","level":3,"score":0.3068000078201294},{"id":"https://openalex.org/C2994119904","wikidata":"https://www.wikidata.org/wiki/Q1251001","display_name":"Drug response","level":3,"score":0.2849000096321106},{"id":"https://openalex.org/C2778112365","wikidata":"https://www.wikidata.org/wiki/Q3511065","display_name":"Sequence (biology)","level":2,"score":0.27410000562667847},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.2526000142097473},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.25209999084472656}],"mesh":[{"descriptor_ui":"D000086402","descriptor_name":"SARS-CoV-2","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1186/s12859-026-06449-5","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s12859-026-06449-5","pdf_url":"https://link.springer.com/content/pdf/10.1186/s12859-026-06449-5.pdf","source":{"id":"https://openalex.org/S19032547","display_name":"BMC Bioinformatics","issn_l":"1471-2105","issn":["1471-2105"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"BMC Bioinformatics","raw_type":"journal-article"},{"id":"pmid:42050404","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/42050404","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":"BMC bioinformatics","raw_type":null},{"id":"pmh:oai:doaj.org/article:5abca3a4329a46aea5d6e0948df2500d","is_oa":false,"landing_page_url":"https://doaj.org/article/5abca3a4329a46aea5d6e0948df2500d","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"BMC Bioinformatics, Vol 27, Iss 1 (2026)","raw_type":"article"},{"id":"pmh:oai:pubmedcentral.nih.gov:13267511","is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC13267511/","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"BMC Bioinformatics","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/s12859-026-06449-5","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s12859-026-06449-5","pdf_url":"https://link.springer.com/content/pdf/10.1186/s12859-026-06449-5.pdf","source":{"id":"https://openalex.org/S19032547","display_name":"BMC Bioinformatics","issn_l":"1471-2105","issn":["1471-2105"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"BMC Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.49649178981781006}],"awards":[{"id":"https://openalex.org/G2465703327","display_name":"\u9762\u5411\u9776\u70b9\u86cb\u767d-\u836f\u7269\u76f8\u4e92\u4f5c\u7528\u8bbe\u8ba1\u7684\u5173\u952e\u95ee\u9898\u7814\u7a76","funder_award_id":"61972299","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G4202137705","display_name":null,"funder_award_id":"62372342","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6108621456","display_name":"\u4eba\u4f53\u80ba\u90e8\u6c14\u4f53MRI\u4e0eCT\u591a\u6a21\u6001\u5f71\u50cf\u9ad8\u7cbe\u5ea6\u914d\u51c6","funder_award_id":"62071456","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320324116","display_name":"Wuhan University","ror":"https://ror.org/033vjfk17"},{"id":"https://openalex.org/F4320325431","display_name":"Wuhan University of Science and Technology","ror":"https://ror.org/00e4hrk88"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7157530641.pdf","grobid_xml":"https://content.openalex.org/works/W7157530641.grobid-xml"},"referenced_works_count":28,"referenced_works":["https://openalex.org/W1973906057","https://openalex.org/W1981622697","https://openalex.org/W2096541451","https://openalex.org/W2096864392","https://openalex.org/W2105668062","https://openalex.org/W2134967712","https://openalex.org/W2273267066","https://openalex.org/W2785023044","https://openalex.org/W2892485383","https://openalex.org/W2949342052","https://openalex.org/W2966111606","https://openalex.org/W3011701533","https://openalex.org/W3013657235","https://openalex.org/W3090171308","https://openalex.org/W3094640617","https://openalex.org/W3168181021","https://openalex.org/W3177500196","https://openalex.org/W3198020404","https://openalex.org/W4223416633","https://openalex.org/W4291302291","https://openalex.org/W4295905361","https://openalex.org/W4361000628","https://openalex.org/W4361218849","https://openalex.org/W4385376554","https://openalex.org/W4388452988","https://openalex.org/W4389991855","https://openalex.org/W4390992036","https://openalex.org/W4396660597"],"related_works":[],"abstract_inverted_index":{"BACKGROUND:":[0],"Targeted":[1],"drugs":[2,19,50,64,102,153,197,228,251,264],"are":[3,32,114,122,134,265],"medications":[4],"designed":[5,195],"to":[6,25,35,116,209,269],"treat":[7,26],"diseases":[8],"by":[9],"targeting":[10],"specific":[11,211],"sites":[12,24],"on":[13,55,61,82,92,167,273],"cancerous":[14],"or":[15],"diseased":[16],"cells.":[17],"Multi-target":[18],"can":[20,41,154,198,247],"target":[21,111,144,202,215,278],"multiple":[22,132,234,270,289],"protein":[23,83,112,231],"diseases,":[27],"improving":[28],"therapeutic":[29],"efficiency,":[30],"but":[31,68],"more":[33],"challenging":[34],"design.":[36],"Computer-aided":[37],"targeted":[38,108],"drug":[39,57,78,164],"design":[40,58,79,99,165,249],"reduce":[42],"costs":[43],"and":[44,88,146,174,181,186,189,229],"shorten":[45],"development":[46],"time,":[47],"with":[48,201,252],"most":[49],"being":[51],"single-target.":[52],"Recent":[53],"research":[54],"multi-target":[56,66,77,101,152,163,196,227,250],"has":[59,71],"focused":[60],"optimizing":[62],"single-target":[63],"into":[65,125,136],"drugs,":[67],"this":[69],"approach":[70],"limitations.":[72],"This":[73],"study":[74],"proposes":[75],"a":[76],"method":[80,166,246],"based":[81,91,272],"feature":[84],"fusion,":[85],"which":[86],"encodes":[87],"integrates":[89],"features":[90,121,130,145,149,275],"the":[93,98,107,129,147,161,172,179,187,210,222,226,230,237,240,274,277,281],"target's":[94,120],"sequence":[95],"characteristics,":[96],"enabling":[97],"of":[100,106,131,170,213,225,233,239,267,276],"without":[103],"prior":[104],"knowledge":[105],"drug.":[109],"The":[110,194,218,244],"sequences":[113],"embedded":[115],"extract":[117],"features.":[118],"Each":[119],"independently":[123],"encoded":[124,135],"latent":[126,138],"vectors,":[127],"while":[128],"targets":[133,176,183,191,235,271],"similarity":[137,148],"vectors.":[139],"By":[140],"leveraging":[141],"both":[142],"individual":[143],"among":[150],"targets,":[151],"be":[155,199],"efficiently":[156,248],"designed.":[157],"RESULTS:":[158],"We":[159],"validated":[160],"proposed":[162,241,245],"three":[168],"groups":[169],"targets:":[171],"3CLpro":[173],"PLpro":[175],"for":[177,184,192,287],"COVID-19,":[178],"TAAR1":[180],"DRD2":[182],"schizophrenia,":[185],"MEK1":[188],"mTOR":[190],"tumors.":[193],"docked":[200],"proteins":[203],"possessing":[204],"unique":[205],"molecular":[206,223],"structures,":[207],"tailored":[208],"requirements":[212],"different":[214],"pocket":[216],"structures.":[217],"excellent":[219,284],"fit":[220],"between":[221],"structures":[224,232],"validates":[236],"performance":[238],"method.":[242],"CONCLUSIONS:":[243],"stronger":[253],"predicted":[254],"binding":[255],"affinities":[256],"than":[257],"those":[258],"reported":[259],"in":[260],"previous":[261],"studies.":[262],"These":[263],"capable":[266],"adapting":[268],"proteins.":[279],"Additionally,":[280],"model":[282],"demonstrates":[283],"generalization":[285],"ability":[286],"untrained":[288],"targets.":[290]},"counts_by_year":[],"updated_date":"2026-07-23T08:03:31.855105","created_date":"2026-04-30T00:00:00"}
