{"id":"https://openalex.org/W2133663493","doi":"https://doi.org/10.1186/1758-2946-6-s1-p37","title":"Identification of SUMO activating enzyme 1 inhibitors utilizing virtual screening approach","display_name":"Identification of SUMO activating enzyme 1 inhibitors utilizing virtual screening approach","publication_year":2014,"publication_date":"2014-03-01","ids":{"openalex":"https://openalex.org/W2133663493","doi":"https://doi.org/10.1186/1758-2946-6-s1-p37","mag":"2133663493"},"language":"en","primary_location":{"id":"doi:10.1186/1758-2946-6-s1-p37","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-6-s1-p37","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-6-S1-P37","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/10.1186/1758-2946-6-S1-P37","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5101839372","display_name":"Ashutosh Kumar","orcid":"https://orcid.org/0000-0002-1699-2951"},"institutions":[{"id":"https://openalex.org/I4210110652","display_name":"RIKEN","ror":"https://ror.org/01sjwvz98","country_code":"JP","type":"facility","lineage":["https://openalex.org/I4210110652"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Ashutosh Kumar","raw_affiliation_strings":["Zhang Initiative Research Unit, Institute laboratories, RIKEN, 2-1 Hirosawa, Wako, Saitama, 351-0198, Japan","Zhang Initiative Research Unit, Institute laboratories, RIKEN, Saitama, Japan"],"affiliations":[{"raw_affiliation_string":"Zhang Initiative Research Unit, Institute laboratories, RIKEN, 2-1 Hirosawa, Wako, Saitama, 351-0198, Japan","institution_ids":["https://openalex.org/I4210110652"]},{"raw_affiliation_string":"Zhang Initiative Research Unit, Institute laboratories, RIKEN, Saitama, Japan","institution_ids":["https://openalex.org/I4210110652"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101538508","display_name":"Akihiro Ito","orcid":"https://orcid.org/0000-0003-0908-8929"},"institutions":[{"id":"https://openalex.org/I4210110652","display_name":"RIKEN","ror":"https://ror.org/01sjwvz98","country_code":"JP","type":"facility","lineage":["https://openalex.org/I4210110652"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Akihiro Ito","raw_affiliation_strings":["Chemical Genetics Laboratory/Chemical Genomics Research Group, RIKEN, 2-1 Hirosawa, Wako, Saitama, 351-0198, Japan","Chemical Genetics Laboratory/Chemical Genomics Research Group, RIKEN, Saitama, Japan"],"affiliations":[{"raw_affiliation_string":"Chemical Genetics Laboratory/Chemical Genomics Research Group, RIKEN, 2-1 Hirosawa, Wako, Saitama, 351-0198, Japan","institution_ids":["https://openalex.org/I4210110652"]},{"raw_affiliation_string":"Chemical Genetics Laboratory/Chemical Genomics Research Group, RIKEN, Saitama, Japan","institution_ids":["https://openalex.org/I4210110652"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5000427998","display_name":"Mikako Hirohama","orcid":null},"institutions":[{"id":"https://openalex.org/I4210110652","display_name":"RIKEN","ror":"https://ror.org/01sjwvz98","country_code":"JP","type":"facility","lineage":["https://openalex.org/I4210110652"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Mikako Hirohama","raw_affiliation_strings":["Chemical Genetics Laboratory/Chemical Genomics Research Group, RIKEN, 2-1 Hirosawa, Wako, Saitama, 351-0198, Japan","Chemical Genetics Laboratory/Chemical Genomics Research Group, RIKEN, Saitama, Japan"],"affiliations":[{"raw_affiliation_string":"Chemical Genetics Laboratory/Chemical Genomics Research Group, RIKEN, 2-1 Hirosawa, Wako, Saitama, 351-0198, Japan","institution_ids":["https://openalex.org/I4210110652"]},{"raw_affiliation_string":"Chemical Genetics Laboratory/Chemical Genomics Research Group, RIKEN, Saitama, Japan","institution_ids":["https://openalex.org/I4210110652"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024749444","display_name":"Minoru Yoshida","orcid":"https://orcid.org/0000-0002-4376-5674"},"institutions":[{"id":"https://openalex.org/I4210110652","display_name":"RIKEN","ror":"https://ror.org/01sjwvz98","country_code":"JP","type":"facility","lineage":["https://openalex.org/I4210110652"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Minoru Yoshida","raw_affiliation_strings":["Chemical Genetics Laboratory/Chemical Genomics Research Group, RIKEN, 2-1 Hirosawa, Wako, Saitama, 351-0198, Japan","Chemical Genetics Laboratory/Chemical Genomics Research Group, RIKEN, Saitama, Japan"],"affiliations":[{"raw_affiliation_string":"Chemical Genetics Laboratory/Chemical Genomics Research Group, RIKEN, 2-1 Hirosawa, Wako, Saitama, 351-0198, Japan","institution_ids":["https://openalex.org/I4210110652"]},{"raw_affiliation_string":"Chemical Genetics Laboratory/Chemical Genomics Research Group, RIKEN, Saitama, Japan","institution_ids":["https://openalex.org/I4210110652"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5044307373","display_name":"Kam Y. J. Zhang","orcid":"https://orcid.org/0000-0002-9282-8045"},"institutions":[{"id":"https://openalex.org/I4210110652","display_name":"RIKEN","ror":"https://ror.org/01sjwvz98","country_code":"JP","type":"facility","lineage":["https://openalex.org/I4210110652"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Kam YJ Zhang","raw_affiliation_strings":["Zhang Initiative Research Unit, Institute laboratories, RIKEN, 2-1 Hirosawa, Wako, Saitama, 351-0198, Japan","Zhang Initiative Research Unit, Institute laboratories, RIKEN, Saitama, Japan"],"affiliations":[{"raw_affiliation_string":"Zhang Initiative Research Unit, Institute laboratories, RIKEN, 2-1 Hirosawa, Wako, Saitama, 351-0198, Japan","institution_ids":["https://openalex.org/I4210110652"]},{"raw_affiliation_string":"Zhang Initiative Research Unit, Institute laboratories, RIKEN, Saitama, Japan","institution_ids":["https://openalex.org/I4210110652"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5101839372"],"corresponding_institution_ids":["https://openalex.org/I4210110652"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":0.0,"has_fulltext":true,"cited_by_count":1,"citation_normalized_percentile":{"value":0.11505245,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"6","issue":"S1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11041","display_name":"Ubiquitin and proteasome pathways","score":1.0,"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/T11041","display_name":"Ubiquitin and proteasome pathways","score":1.0,"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/T12505","display_name":"Peptidase Inhibition and Analysis","score":0.994700014591217,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"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/T13157","display_name":"Cancer-related gene regulation","score":0.9781000018119812,"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/sumo-protein","display_name":"SUMO protein","score":0.9336612224578857},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.6944540739059448},{"id":"https://openalex.org/keywords/small-molecule","display_name":"Small molecule","score":0.6562119722366333},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5608937740325928},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5111146569252014},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.5018167495727539},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.4970097839832306},{"id":"https://openalex.org/keywords/ubiquitin-ligase","display_name":"Ubiquitin ligase","score":0.4799623489379883},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.47414109110832214},{"id":"https://openalex.org/keywords/dna-ligase","display_name":"DNA ligase","score":0.47384482622146606},{"id":"https://openalex.org/keywords/sumo-enzymes","display_name":"SUMO enzymes","score":0.4560723900794983},{"id":"https://openalex.org/keywords/ubiquitin","display_name":"Ubiquitin","score":0.443809449672699},{"id":"https://openalex.org/keywords/chemical-library","display_name":"Chemical library","score":0.4390278160572052},{"id":"https://openalex.org/keywords/dna","display_name":"DNA","score":0.43125972151756287},{"id":"https://openalex.org/keywords/protein\u2013protein-interaction","display_name":"Protein\u2013protein interaction","score":0.4297371506690979},{"id":"https://openalex.org/keywords/target-protein","display_name":"Target protein","score":0.4295041561126709},{"id":"https://openalex.org/keywords/lysine","display_name":"Lysine","score":0.42465102672576904},{"id":"https://openalex.org/keywords/cell-biology","display_name":"Cell biology","score":0.4201183617115021},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.34829527139663696},{"id":"https://openalex.org/keywords/amino-acid","display_name":"Amino acid","score":0.23145881295204163},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.11304479837417603}],"concepts":[{"id":"https://openalex.org/C171350616","wikidata":"https://www.wikidata.org/wiki/Q61506","display_name":"SUMO protein","level":4,"score":0.9336612224578857},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.6944540739059448},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.6562119722366333},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5608937740325928},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5111146569252014},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5018167495727539},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.4970097839832306},{"id":"https://openalex.org/C134459356","wikidata":"https://www.wikidata.org/wiki/Q4274835","display_name":"Ubiquitin ligase","level":4,"score":0.4799623489379883},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.47414109110832214},{"id":"https://openalex.org/C175114707","wikidata":"https://www.wikidata.org/wiki/Q408483","display_name":"DNA ligase","level":3,"score":0.47384482622146606},{"id":"https://openalex.org/C144519050","wikidata":"https://www.wikidata.org/wiki/Q7394994","display_name":"SUMO enzymes","level":5,"score":0.4560723900794983},{"id":"https://openalex.org/C25602115","wikidata":"https://www.wikidata.org/wiki/Q407111","display_name":"Ubiquitin","level":3,"score":0.443809449672699},{"id":"https://openalex.org/C2779057010","wikidata":"https://www.wikidata.org/wiki/Q2963679","display_name":"Chemical library","level":3,"score":0.4390278160572052},{"id":"https://openalex.org/C552990157","wikidata":"https://www.wikidata.org/wiki/Q7430","display_name":"DNA","level":2,"score":0.43125972151756287},{"id":"https://openalex.org/C11804247","wikidata":"https://www.wikidata.org/wiki/Q896177","display_name":"Protein\u2013protein interaction","level":2,"score":0.4297371506690979},{"id":"https://openalex.org/C2780430158","wikidata":"https://www.wikidata.org/wiki/Q7685902","display_name":"Target protein","level":3,"score":0.4295041561126709},{"id":"https://openalex.org/C2776016237","wikidata":"https://www.wikidata.org/wiki/Q178430","display_name":"Lysine","level":3,"score":0.42465102672576904},{"id":"https://openalex.org/C95444343","wikidata":"https://www.wikidata.org/wiki/Q7141","display_name":"Cell biology","level":1,"score":0.4201183617115021},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.34829527139663696},{"id":"https://openalex.org/C515207424","wikidata":"https://www.wikidata.org/wiki/Q8066","display_name":"Amino acid","level":2,"score":0.23145881295204163},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.11304479837417603},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1186/1758-2946-6-s1-p37","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-6-s1-p37","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-6-S1-P37","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:europepmc.org:2972221","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3980187","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"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":"Text"}],"best_oa_location":{"id":"doi:10.1186/1758-2946-6-s1-p37","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-6-s1-p37","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-6-S1-P37","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":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2133663493.pdf","grobid_xml":"https://content.openalex.org/works/W2133663493.grobid-xml"},"referenced_works_count":6,"referenced_works":["https://openalex.org/W1978693761","https://openalex.org/W1987129537","https://openalex.org/W1987344383","https://openalex.org/W2013108773","https://openalex.org/W2030437460","https://openalex.org/W2076194625"],"related_works":["https://openalex.org/W4235728428","https://openalex.org/W3043639762","https://openalex.org/W4250047259","https://openalex.org/W2128719376","https://openalex.org/W1999882186","https://openalex.org/W1593932445","https://openalex.org/W1608009266","https://openalex.org/W2057861732","https://openalex.org/W2000572110","https://openalex.org/W1979275431"],"abstract_inverted_index":{"Sumoylation":[0,28],"is":[1,76,94],"a":[2,34,52,62,67,106,113,180,194],"post-translational":[3],"modification":[4],"affecting":[5],"diverse":[6],"cellular":[7],"processes":[8],"including":[9,100],"DNA":[10],"replication":[11],"and":[12,16,24,66,102,129,145,168,200,224,272],"repair,":[13],"chromosome":[14],"packing":[15],"dynamics,":[17],"genome":[18],"integrity,":[19],"nuclear":[20],"transport,":[21],"signal":[22],"transduction":[23],"cell":[25],"proliferation":[26],"[1].":[27],"involves":[29,175],"the":[30,71,79,84,88,138,176,204,230,263,281,293],"covalent":[31],"attachment":[32],"of":[33,44,55,81,87,140,158,179,190,221,232,235,244,259,270,283,295],"small":[35,155,181,236],"ubiquitin":[36],"like":[37],"modifier":[38],"(SUMO)":[39],"protein":[40,127,186,201],"to":[41,96,119,152,184],"e-amino":[42],"group":[43],"lysine":[45],"residues":[46],"in":[47,83,135,146,165,229,264],"specific":[48],"target":[49,109],"proteins":[50],"via":[51],"sequential":[53],"action":[54],"an":[56,268],"activating":[57],"enzyme":[58,64],"E1":[59,75,93,160],"(SUMO":[60],"E1),":[61],"conjugating":[63],"E2":[65],"ligase":[68],"E3.":[69],"Among":[70],"sumoylation":[72,89,148,266,278],"proteins,":[73],"SUMO":[74,82,92,159,253,303],"responsible":[77],"for":[78,292],"activation":[80],"first":[85],"step":[86],"cascade":[90],"[2].":[91],"linked":[95],"many":[97],"human":[98],"diseases":[99,301],"cancer":[101],"thus":[103],"making":[104],"it":[105],"potential":[107,154],"therapeutic":[108,169,297],"[3].":[110],"However,":[111],"only":[112],"few":[114],"inhibitors":[115,128,157],"were":[116,208],"reported":[117],"up":[118],"now":[120],"that":[121,161,196,238],"includes":[122],"three":[123],"natural":[124],"products,":[125],"semi-synthetic":[126],"one":[130],"AMP":[131],"mimic":[132],"[4-6].":[133],"Here":[134],"this":[136],"research,":[137],"combination":[139],"structure":[141],"based":[142,214],"virtual":[143,172],"screening":[144,173],"vitro":[147,265],"assay":[149,223],"was":[150],"used":[151,164],"identify":[153],"molecule":[156,182],"could":[162],"be":[163],"chemical":[166,246],"biology":[167],"studies.":[170],"Our":[171,287],"protocol":[174],"fast":[177],"docking":[178],"library":[183],"rigid":[185],"followed":[187],"by":[188,279],"redocking":[189],"top":[191,205],"hits":[192],"using":[193,210],"method":[195],"incorporates":[197],"both":[198],"ligand":[199],"flexibility.":[202],"Subsequently,":[203],"ranking":[206],"compounds":[207,276],"prioritized":[209],"molecular":[211],"dynamics":[212],"simulation":[213],"binding":[215],"free":[216],"energy":[217],"calculation.":[218],"The":[219,255],"result":[220],"biological":[222],"subsequent":[225],"similarity":[226],"search":[227],"resulted":[228],"identification":[231],"two":[233],"classes":[234,247],"molecules":[237],"shared":[239],"biaryl":[240],"urea":[241],"scaffold.":[242],"Both":[243],"these":[245],"displayed":[248],"moderate":[249],"inhibitory":[250],"potency":[251],"against":[252,299],"E1.":[254,304],"most":[256],"potent":[257],"compound":[258],"each":[260],"class":[261],"inhibited":[262],"with":[267],"IC50":[269],"11.1":[271],"13.4":[273],"\u03bcM.":[274],"These":[275],"inhibit":[277],"blocking":[280],"formation":[282],"SUMO-E1":[284],"thioester":[285],"intermediate.":[286],"study":[288],"presents":[289],"starting":[290],"points":[291],"development":[294],"novel":[296],"agents":[298],"various":[300],"targeting":[302]},"counts_by_year":[{"year":2020,"cited_by_count":1}],"updated_date":"2026-03-20T23:20:44.827607","created_date":"2025-10-10T00:00:00"}
