{"id":"https://openalex.org/W2811484380","doi":"https://doi.org/10.1002/cmdc.201800283","title":"Hydroxypyridonecarboxylic Acids as Inhibitors of Human Cytomegalovirus pUL89 Endonuclease","display_name":"Hydroxypyridonecarboxylic Acids as Inhibitors of Human Cytomegalovirus pUL89 Endonuclease","publication_year":2018,"publication_date":"2018-07-03","ids":{"openalex":"https://openalex.org/W2811484380","doi":"https://doi.org/10.1002/cmdc.201800283","mag":"2811484380","pmid":"https://pubmed.ncbi.nlm.nih.gov/29968426"},"language":"en","primary_location":{"id":"doi:10.1002/cmdc.201800283","doi":"https://doi.org/10.1002/cmdc.201800283","is_oa":false,"landing_page_url":"https://doi.org/10.1002/cmdc.201800283","pdf_url":null,"source":{"id":"https://openalex.org/S136164820","display_name":"ChemMedChem","issn_l":"1860-7179","issn":["1860-7179","1860-7187"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ChemMedChem","raw_type":"journal-article"},"volume":null,"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/A5001465602","display_name":"Jayakanth Kankanala","orcid":"https://orcid.org/0000-0002-9581-0844","observed_orcids":["https://orcid.org/0000-0002-9581-0844"]},"institutions":[{"id":"https://openalex.org/I130238516","display_name":"University of Minnesota","ror":"https://ror.org/017zqws13","country_code":"US","type":"education","lineage":["https://openalex.org/I130238516"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jayakanth Kankanala","raw_affiliation_strings":["University of Minnesota, Academic Health Center, Center for Drug Design, Nils Hasselmo Hall, 312 Church Street SE, Minneapolis, MN, 55455 USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Minnesota, Academic Health Center, Center for Drug Design, Nils Hasselmo Hall, 312 Church Street SE, Minneapolis, MN, 55455 USA","institution_ids":["https://openalex.org/I130238516"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100322872","display_name":"Yan Wang","orcid":"https://orcid.org/0000-0003-0671-7312","observed_orcids":["https://orcid.org/0000-0003-0671-7312","https://orcid.org/0000-0003-3934-9835","https://orcid.org/0009-0002-2442-7992","https://orcid.org/0000-0002-0379-9386"]},"institutions":[{"id":"https://openalex.org/I130238516","display_name":"University of Minnesota","ror":"https://ror.org/017zqws13","country_code":"US","type":"education","lineage":["https://openalex.org/I130238516"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Yan Wang","raw_affiliation_strings":["University of Minnesota, Academic Health Center, Center for Drug Design, Nils Hasselmo Hall, 312 Church Street SE, Minneapolis, MN, 55455 USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Minnesota, Academic Health Center, Center for Drug Design, Nils Hasselmo Hall, 312 Church Street SE, Minneapolis, MN, 55455 USA","institution_ids":["https://openalex.org/I130238516"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5023727239","display_name":"Robert J. Geraghty","orcid":"https://orcid.org/0000-0002-0560-6509","observed_orcids":["https://orcid.org/0000-0002-0560-6509"]},"institutions":[{"id":"https://openalex.org/I130238516","display_name":"University of Minnesota","ror":"https://ror.org/017zqws13","country_code":"US","type":"education","lineage":["https://openalex.org/I130238516"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Robert J. Geraghty","raw_affiliation_strings":["University of Minnesota, Academic Health Center, Center for Drug Design, Nils Hasselmo Hall, 312 Church Street SE, Minneapolis, MN, 55455 USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Minnesota, Academic Health Center, Center for Drug Design, Nils Hasselmo Hall, 312 Church Street SE, Minneapolis, MN, 55455 USA","institution_ids":["https://openalex.org/I130238516"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5102908188","display_name":"Zhengqiang Wang","orcid":"https://orcid.org/0000-0002-1326-5986","observed_orcids":["https://orcid.org/0000-0002-1326-5986"]},"institutions":[{"id":"https://openalex.org/I130238516","display_name":"University of Minnesota","ror":"https://ror.org/017zqws13","country_code":"US","type":"education","lineage":["https://openalex.org/I130238516"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Zhengqiang Wang","raw_affiliation_strings":["University of Minnesota, Academic Health Center, Center for Drug Design, Nils Hasselmo Hall, 312 Church Street SE, Minneapolis, MN, 55455 USA"],"raw_orcid":"https://orcid.org/0000-0002-1326-5986","affiliations":[{"raw_affiliation_string":"University of Minnesota, Academic Health Center, Center for Drug Design, Nils Hasselmo Hall, 312 Church Street SE, Minneapolis, MN, 55455 USA","institution_ids":["https://openalex.org/I130238516"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5102908188"],"corresponding_institution_ids":["https://openalex.org/I130238516"],"apc_list":{"value":4150,"currency":"USD","value_usd":4150},"apc_paid":null,"fwci":2.0896,"has_fulltext":false,"cited_by_count":21,"citation_normalized_percentile":{"value":0.86497942,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":98},"biblio":{"volume":"13","issue":"16","first_page":"1658","last_page":"1663"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10981","display_name":"Cytomegalovirus and herpesvirus research","score":0.7860999703407288,"subfield":{"id":"https://openalex.org/subfields/2713","display_name":"Epidemiology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10981","display_name":"Cytomegalovirus and herpesvirus research","score":0.7860999703407288,"subfield":{"id":"https://openalex.org/subfields/2713","display_name":"Epidemiology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T14099","display_name":"Synthesis and Characterization of Heterocyclic Compounds","score":0.16429999470710754,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10274","display_name":"Heterocyclic Compound Synthesis and Bioactivity","score":0.014100000262260437,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/human-cytomegalovirus","display_name":"human cytomegalovirus","score":0.9700000286102295},{"id":"https://openalex.org/keywords/viral-dna-packaging","display_name":"viral DNA packaging","score":0.8690000176429749},{"id":"https://openalex.org/keywords/antiviral-drug-discovery","display_name":"antiviral drug discovery","score":0.8610000014305115},{"id":"https://openalex.org/keywords/structure-activity-relationship","display_name":"structure-activity relationship","score":0.9929999709129333},{"id":"https://openalex.org/keywords/pharmacophore-model","display_name":"pharmacophore model","score":0.7609999775886536},{"id":"https://openalex.org/keywords/endonuclease-inhibitors","display_name":"endonuclease inhibitors","score":0.6230000257492065}],"concepts":[{"id":"https://openalex.org/C56173144","wikidata":"https://www.wikidata.org/wiki/Q1539893","display_name":"Pharmacophore","level":2,"score":0.86737060546875},{"id":"https://openalex.org/C2779820661","wikidata":"https://www.wikidata.org/wiki/Q6929","display_name":"Human cytomegalovirus","level":3,"score":0.7503289580345154},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.5577585101127625},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.5138211846351624},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4957753121852875},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.4430958032608032},{"id":"https://openalex.org/C2780827033","wikidata":"https://www.wikidata.org/wiki/Q58826308","display_name":"Tetrazole","level":2,"score":0.43081045150756836},{"id":"https://openalex.org/C159047783","wikidata":"https://www.wikidata.org/wiki/Q7215","display_name":"Virology","level":1,"score":0.3547515273094177},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.3543071746826172},{"id":"https://openalex.org/C2522874641","wikidata":"https://www.wikidata.org/wiki/Q808","display_name":"Virus","level":2,"score":0.2688497304916382}],"mesh":[{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002460","descriptor_name":"Cell Line","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003587","descriptor_name":"Cytomegalovirus","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":true},{"descriptor_ui":"D004706","descriptor_name":"Endodeoxyribonucleases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D004706","descriptor_name":"Endodeoxyribonucleases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":false},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011728","descriptor_name":"Pyridones","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":false},{"descriptor_ui":"D011728","descriptor_name":"Pyridones","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D011728","descriptor_name":"Pyridones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014764","descriptor_name":"Viral Proteins","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":true},{"descriptor_ui":"D014764","descriptor_name":"Viral Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014779","descriptor_name":"Virus Replication","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1002/cmdc.201800283","doi":"https://doi.org/10.1002/cmdc.201800283","is_oa":false,"landing_page_url":"https://doi.org/10.1002/cmdc.201800283","pdf_url":null,"source":{"id":"https://openalex.org/S136164820","display_name":"ChemMedChem","issn_l":"1860-7179","issn":["1860-7179","1860-7187"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-1","ki-jl-1","medline","norway-1","poland-100","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ChemMedChem","raw_type":"journal-article"},{"id":"pmid:29968426","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/29968426","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,"listed_in":[],"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":"ChemMedChem","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.8371999859809875}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":28,"referenced_works":["https://openalex.org/W1926456818","https://openalex.org/W1974627194","https://openalex.org/W1985588649","https://openalex.org/W2004824357","https://openalex.org/W2017579029","https://openalex.org/W2022643090","https://openalex.org/W2031168104","https://openalex.org/W2044418786","https://openalex.org/W2051381895","https://openalex.org/W2057049809","https://openalex.org/W2067406484","https://openalex.org/W2088475360","https://openalex.org/W2092890929","https://openalex.org/W2095904207","https://openalex.org/W2097355060","https://openalex.org/W2102377211","https://openalex.org/W2131480973","https://openalex.org/W2147027267","https://openalex.org/W2147120870","https://openalex.org/W2155143492","https://openalex.org/W2157457515","https://openalex.org/W2165903332","https://openalex.org/W2299248937","https://openalex.org/W2340892054","https://openalex.org/W2414235588","https://openalex.org/W2615815774","https://openalex.org/W2756623713","https://openalex.org/W2789794149"],"related_works":["https://openalex.org/W4287838964","https://openalex.org/W4224035487","https://openalex.org/W2794095609","https://openalex.org/W3167062759","https://openalex.org/W4387566632","https://openalex.org/W4304688968","https://openalex.org/W3193739450","https://openalex.org/W4375866618","https://openalex.org/W2556944212","https://openalex.org/W2897601461"],"abstract_inverted_index":{"Human":[0],"cytomegalovirus":[1],"(HCMV)":[2],"infection":[3,17],"poses":[4],"a":[5,51,140,147,151,183],"major":[6],"health":[7],"threat":[8],"to":[9,122],"immunocompromised":[10],"individuals.":[11],"Until":[12],"recently,":[13],"treatment":[14],"of":[15,54,59,63,67,115,129,146],"HCMV":[16,37,55,190],"has":[18],"relied":[19],"solely":[20],"on":[21],"polymerase":[22],"inhibitors":[23,58],"that":[24],"have":[25],"safety":[26],"and":[27,44,150,175],"resistance":[28],"issues.":[29],"pUL89":[30,68],"provides":[31],"the":[32,36,60,64,111,116,123,127,168],"enzymatic":[33],"functions":[34],"for":[35,49,188],"terminase":[38],"complex":[39],"in":[40,88,167,172],"viral":[41],"DNA":[42],"packaging":[43],"is":[45],"an":[46],"attractive":[47],"target":[48],"developing":[50],"new":[52],"class":[53],"drugs.":[56],"However,":[57],"endonuclease":[61],"activity":[62,179],"C":[65],"terminus":[66],"(pUL89-C)":[69],"were":[70],"unknown":[71],"before":[72],"our":[73,89,161],"recently":[74],"characterized":[75],"hydroxypyridonecarboxylic":[76],"acid":[77],"(HPCA)":[78],"hit":[79],"7":[80],"r":[81],"(1-(3-chloro-4-fluorobenzyl)-5-hydroxy-4-oxo-1,4-dihydropyridine-3-carboxylic":[82],"acid;":[83],"numbered":[84],"as":[85],"10":[86],"k":[87],"previous":[90],"publication:":[91],"Y.":[92],"Wang,":[93,99],"L.":[94],"Mao,":[95],"J.":[96,101,103],"Kankanala,":[97],"Z.":[98],"R.":[100],"Geraghty,":[102],"Virol.":[104],"2017,":[105],"91,":[106],"e02152-16).":[107],"Herein,":[108],"we":[109],"explored":[110],"structure-activity":[112],"relationship":[113],"(SAR)":[114],"HPCA":[117],"chemotype":[118],"mainly":[119],"with":[120,136],"regard":[121],"N1":[124],"site":[125],"through":[126],"synthesis":[128],"35":[130],"analogues.":[131],"The":[132],"SAR":[133],"studies,":[134],"along":[135],"molecular":[137],"modeling,":[138],"identified":[139],"possible":[141],"pharmacophore":[142],"model":[143],"minimally":[144],"consisting":[145],"chelating":[148],"triad":[149],"hydrophobic":[152],"phenyl":[153],"or":[154],"biphenyl":[155],"methyl":[156],"substituent":[157],"at":[158],"N1.":[159],"Lastly,":[160],"best":[162],"compounds":[163],"consistently":[164],"inhibited":[165],"pUL89-C":[166],"low":[169],"micromolar":[170],"range":[171],"biochemical":[173],"assays":[174],"exhibited":[176],"strong":[177],"antiviral":[178],"without":[180],"cytotoxicity,":[181],"laying":[182],"solid":[184],"medicinal":[185],"chemistry":[186],"foundation":[187],"further":[189],"drug":[191],"discovery":[192],"efforts":[193],"targeting":[194],"pUL89-C.":[195]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":7},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":2}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2018-07-10T00:00:00"}
