{"id":"https://openalex.org/W2142823426","doi":"https://doi.org/10.1186/1758-2946-4-s1-o11","title":"Design of dual ligands using excessive pharmacophore query alignment","display_name":"Design of dual ligands using excessive pharmacophore query alignment","publication_year":2012,"publication_date":"2012-05-01","ids":{"openalex":"https://openalex.org/W2142823426","doi":"https://doi.org/10.1186/1758-2946-4-s1-o11","mag":"2142823426"},"language":"en","primary_location":{"id":"doi:10.1186/1758-2946-4-s1-o11","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-4-s1-o11","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-4-S1-O11","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"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","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-4-S1-O11","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5080626003","display_name":"Daniel Moser","orcid":"https://orcid.org/0000-0002-3457-6759"},"institutions":[{"id":"https://openalex.org/I114090438","display_name":"Goethe University Frankfurt","ror":"https://ror.org/04cvxnb49","country_code":"DE","type":"education","lineage":["https://openalex.org/I114090438"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Daniel Moser","raw_affiliation_strings":["Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Max-von-Laue Str.9, D-60438, Frankfurt/M, Germany","Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Frankfurt/M, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Max-von-Laue Str.9, D-60438, Frankfurt/M, Germany","institution_ids":["https://openalex.org/I114090438"]},{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Frankfurt/M, Germany","institution_ids":["https://openalex.org/I114090438"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063399140","display_name":"Joanna Wi\u015bniewska","orcid":"https://orcid.org/0000-0002-2119-3329"},"institutions":[{"id":"https://openalex.org/I114090438","display_name":"Goethe University Frankfurt","ror":"https://ror.org/04cvxnb49","country_code":"DE","type":"education","lineage":["https://openalex.org/I114090438"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Joanna Wisniewska","raw_affiliation_strings":["Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Max-von-Laue Str.9, D-60438, Frankfurt/M, Germany","Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Frankfurt/M, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Max-von-Laue Str.9, D-60438, Frankfurt/M, Germany","institution_ids":["https://openalex.org/I114090438"]},{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Frankfurt/M, Germany","institution_ids":["https://openalex.org/I114090438"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042734920","display_name":"Steffen Hahn","orcid":"https://orcid.org/0000-0001-5040-3666"},"institutions":[{"id":"https://openalex.org/I114090438","display_name":"Goethe University Frankfurt","ror":"https://ror.org/04cvxnb49","country_code":"DE","type":"education","lineage":["https://openalex.org/I114090438"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Steffen Hahn","raw_affiliation_strings":["Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Max-von-Laue Str.9, D-60438, Frankfurt/M, Germany","Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Frankfurt/M, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Max-von-Laue Str.9, D-60438, Frankfurt/M, Germany","institution_ids":["https://openalex.org/I114090438"]},{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Frankfurt/M, Germany","institution_ids":["https://openalex.org/I114090438"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5109601945","display_name":"Estel la Buscat\u00f3","orcid":null},"institutions":[{"id":"https://openalex.org/I114090438","display_name":"Goethe University Frankfurt","ror":"https://ror.org/04cvxnb49","country_code":"DE","type":"education","lineage":["https://openalex.org/I114090438"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Estel la Buscat\u00f3","raw_affiliation_strings":["Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Max-von-Laue Str.9, D-60438, Frankfurt/M, Germany","Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Frankfurt/M, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Max-von-Laue Str.9, D-60438, Frankfurt/M, Germany","institution_ids":["https://openalex.org/I114090438"]},{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Frankfurt/M, Germany","institution_ids":["https://openalex.org/I114090438"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029588773","display_name":"Franca\u2010Maria Klingler","orcid":"https://orcid.org/0000-0002-8295-374X"},"institutions":[{"id":"https://openalex.org/I114090438","display_name":"Goethe University Frankfurt","ror":"https://ror.org/04cvxnb49","country_code":"DE","type":"education","lineage":["https://openalex.org/I114090438"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Franca-Maria Klingler","raw_affiliation_strings":["Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Max-von-Laue Str.9, D-60438, Frankfurt/M, Germany","Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Frankfurt/M, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Max-von-Laue Str.9, D-60438, Frankfurt/M, Germany","institution_ids":["https://openalex.org/I114090438"]},{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Frankfurt/M, Germany","institution_ids":["https://openalex.org/I114090438"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064516687","display_name":"Janosch Achenbach","orcid":"https://orcid.org/0000-0001-9712-1471"},"institutions":[{"id":"https://openalex.org/I114090438","display_name":"Goethe University Frankfurt","ror":"https://ror.org/04cvxnb49","country_code":"DE","type":"education","lineage":["https://openalex.org/I114090438"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Janosch Achenbach","raw_affiliation_strings":["Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Max-von-Laue Str.9, D-60438, Frankfurt/M, Germany","Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Frankfurt/M, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Max-von-Laue Str.9, D-60438, Frankfurt/M, Germany","institution_ids":["https://openalex.org/I114090438"]},{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Frankfurt/M, Germany","institution_ids":["https://openalex.org/I114090438"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019047498","display_name":"Bettina Hofmann","orcid":"https://orcid.org/0000-0002-8323-3840"},"institutions":[{"id":"https://openalex.org/I114090438","display_name":"Goethe University Frankfurt","ror":"https://ror.org/04cvxnb49","country_code":"DE","type":"education","lineage":["https://openalex.org/I114090438"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Bettina Hofmann","raw_affiliation_strings":["Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Max-von-Laue Str.9, D-60438, Frankfurt/M, Germany","Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Frankfurt/M, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Max-von-Laue Str.9, D-60438, Frankfurt/M, Germany","institution_ids":["https://openalex.org/I114090438"]},{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Frankfurt/M, Germany","institution_ids":["https://openalex.org/I114090438"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082078699","display_name":"Dieter Steinhilber","orcid":"https://orcid.org/0000-0001-8905-5208"},"institutions":[{"id":"https://openalex.org/I114090438","display_name":"Goethe University Frankfurt","ror":"https://ror.org/04cvxnb49","country_code":"DE","type":"education","lineage":["https://openalex.org/I114090438"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Dieter Steinhilber","raw_affiliation_strings":["Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Max-von-Laue Str.9, D-60438, Frankfurt/M, Germany","Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Frankfurt/M, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Max-von-Laue Str.9, D-60438, Frankfurt/M, Germany","institution_ids":["https://openalex.org/I114090438"]},{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Frankfurt/M, Germany","institution_ids":["https://openalex.org/I114090438"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5002124394","display_name":"Ewgenij Proschak","orcid":"https://orcid.org/0000-0003-1961-1859"},"institutions":[{"id":"https://openalex.org/I114090438","display_name":"Goethe University Frankfurt","ror":"https://ror.org/04cvxnb49","country_code":"DE","type":"education","lineage":["https://openalex.org/I114090438"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Ewgenij Proschak","raw_affiliation_strings":["Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Max-von-Laue Str.9, D-60438, Frankfurt/M, Germany","Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Frankfurt/M, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Max-von-Laue Str.9, D-60438, Frankfurt/M, Germany","institution_ids":["https://openalex.org/I114090438"]},{"raw_affiliation_string":"Institute of Pharmaceutical Chemistry, LiFF/OSF/ZAFES, Goethe University, Frankfurt am Main, Germany, Frankfurt/M, Germany","institution_ids":["https://openalex.org/I114090438"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I114090438"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":0.9381,"has_fulltext":true,"cited_by_count":10,"citation_normalized_percentile":{"value":0.76617499,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"4","issue":"S1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12910","display_name":"Eicosanoids and Hypertension Pharmacology","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/1303","display_name":"Biochemistry"},"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/T12910","display_name":"Eicosanoids and Hypertension Pharmacology","score":0.9994999766349792,"subfield":{"id":"https://openalex.org/subfields/1303","display_name":"Biochemistry"},"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9994000196456909,"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/T10678","display_name":"Inflammatory mediators and NSAID effects","score":0.9965999722480774,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/pharmacophore","display_name":"Pharmacophore","score":0.8956429958343506},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.771827220916748},{"id":"https://openalex.org/keywords/dual","display_name":"Dual (grammatical number)","score":0.6297587752342224},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.5159926414489746},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.511907696723938},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.3599297106266022},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.277243435382843},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.12421956658363342}],"concepts":[{"id":"https://openalex.org/C56173144","wikidata":"https://www.wikidata.org/wiki/Q1539893","display_name":"Pharmacophore","level":2,"score":0.8956429958343506},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.771827220916748},{"id":"https://openalex.org/C2780980858","wikidata":"https://www.wikidata.org/wiki/Q110022","display_name":"Dual (grammatical number)","level":2,"score":0.6297587752342224},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.5159926414489746},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.511907696723938},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.3599297106266022},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.277243435382843},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.12421956658363342},{"id":"https://openalex.org/C124952713","wikidata":"https://www.wikidata.org/wiki/Q8242","display_name":"Literature","level":1,"score":0.0},{"id":"https://openalex.org/C142362112","wikidata":"https://www.wikidata.org/wiki/Q735","display_name":"Art","level":0,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1186/1758-2946-4-s1-o11","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-4-s1-o11","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-4-S1-O11","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"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","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmh:oai:publikationen.ub.uni-frankfurt.de:27236","is_oa":true,"landing_page_url":"https://nbn-resolving.org/urn:nbn:de:hebis:30:3-272361","pdf_url":"http://publikationen.ub.uni-frankfurt.de/files/27236/1758-2946-4-S1-O11.pdf","source":{"id":"https://openalex.org/S4306400432","display_name":"Publication Server of Goethe University Frankfurt am Main (Goethe University Frankfurt)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I114090438","host_organization_name":"Goethe University Frankfurt","host_organization_lineage":["https://openalex.org/I114090438"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"doc-type:conferenceObject"},{"id":"pmh:oai:doaj.org/article:ecab2f03a4d8489083245df809683bd6","is_oa":true,"landing_page_url":"https://doaj.org/article/ecab2f03a4d8489083245df809683bd6","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":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics, Vol 4, Iss Suppl 1, p O11 (2012)","raw_type":"article"},{"id":"pmh:oai:pubmedcentral.nih.gov:3341298","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3341298","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Cheminform","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/1758-2946-4-s1-o11","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-4-s1-o11","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-4-S1-O11","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"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","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.6800000071525574,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2142823426.pdf","grobid_xml":"https://content.openalex.org/works/W2142823426.grobid-xml"},"referenced_works_count":6,"referenced_works":["https://openalex.org/W2025563699","https://openalex.org/W2028733293","https://openalex.org/W2037167896","https://openalex.org/W2108107014","https://openalex.org/W2120377931","https://openalex.org/W2136567909"],"related_works":["https://openalex.org/W3184587995","https://openalex.org/W2197392606","https://openalex.org/W2943414817","https://openalex.org/W1605005150","https://openalex.org/W3092402433","https://openalex.org/W2716636539","https://openalex.org/W2385923153","https://openalex.org/W2902128418","https://openalex.org/W2511683653","https://openalex.org/W187265897"],"abstract_inverted_index":{"Dual-":[0],"or":[1],"multi-target":[2,32],"ligands":[3,33,48,142],"have":[4],"gained":[5],"increased":[6],"attention":[7],"in":[8,97,176,184,208],"the":[9,44,84,100,108,116,122,150,177,216,227],"past":[10],"years":[11],"due":[12],"to":[13,24,79,92,94,133,201],"several":[14,29,194],"advantages,":[15],"including":[16],"more":[17],"simple":[18],"pharmacokinetic":[19],"and":[20,77,181,190],"phamarcodynamic":[21],"properties":[22],"compared":[23],"a":[25,40,55,69,87,125,129,146,161,203],"combined":[26,53],"application":[27],"of":[28,46,62,71,104,218,229],"drugs.":[30],"Furthermore":[31],"often":[34],"possess":[35],"improved":[36],"efficacy.":[37],"We":[38],"present":[39],"new":[41,195],"approach":[42],"for":[43,66,166,226],"discovery":[45,228],"dual-target":[47,230],"using":[49,83,154],"aligned":[50,123,219],"pharmacophore":[51,73,105,126,220],"models":[52,74,106,221],"with":[54,59,149],"shape-based":[56,147],"scoring.":[57],"Starting":[58],"two":[60],"sets":[61],"known":[63,151],"active":[64,152],"compounds":[65,135],"each":[67],"target,":[68],"number":[70],"different":[72,95,98],"is":[75,131],"generated":[76],"subjected":[78],"pairwise":[80],"graph-based":[81],"alignment":[82],"Kabsch-Algorithm.":[85],"Since":[86],"compound":[88,204],"may":[89],"be":[90,223],"able":[91,200],"bind":[93],"targets":[96],"conformations,":[99],"algorithm":[101],"aligns":[102],"pairs":[103],"sharing":[107],"same":[109,118],"features":[110],"which":[111],"are":[112,143,182],"not":[113],"necessarily":[114],"at":[115],"exactly":[117],"spatial":[119],"distance.":[120],"Using":[121,156],"models,":[124],"search":[127],"on":[128],"multi-conformation-database":[130],"performed":[132,160],"find":[134,202],"matching":[136],"both":[137,206],"models.":[138],"The":[139,212],"potentially":[140],"\u201cdual\u201d":[141],"scored":[144],"by":[145],"comparison":[148],"molecules":[153],"ShaEP.":[155],"this":[157],"approach,":[158],"we":[159,198],"prospective":[162],"fragment-based":[163],"virtual":[164],"screening":[165],"dual":[167],"5-LO/sEH":[168],"inhibitors.":[169],"Both":[170],"enzymes":[171,207],"play":[172],"an":[173],"important":[174],"role":[175],"arachidonic":[178],"acid":[179],"cascade":[180],"involved":[183],"inflammatory":[185],"processes,":[186],"pain,":[187],"cardiovascular":[188],"diseases":[189],"allergic":[191],"reactions.":[192],"Beside":[193],"selective":[196],"inhibitors":[197],"were":[199],"inhibiting":[205],"low":[209],"micromolar":[210],"concentrations.":[211],"results":[213],"indicate":[214],"that":[215],"idea":[217],"can":[222],"successfully":[224],"employed":[225],"ligands.":[231]},"counts_by_year":[{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":3},{"year":2013,"cited_by_count":1}],"updated_date":"2026-06-26T08:34:08.712188","created_date":"2016-06-24T00:00:00"}