{"id":"https://openalex.org/W4385186871","doi":"https://doi.org/10.1021/acs.jcim.3c00556","title":"Discovery of Novel SIRT1/2 Inhibitors with Effective Cytotoxicity against Human Leukemia Cells","display_name":"Discovery of Novel SIRT1/2 Inhibitors with Effective Cytotoxicity against Human Leukemia Cells","publication_year":2023,"publication_date":"2023-07-24","ids":{"openalex":"https://openalex.org/W4385186871","doi":"https://doi.org/10.1021/acs.jcim.3c00556","pmid":"https://pubmed.ncbi.nlm.nih.gov/37486605"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.3c00556","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00556","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/A5084533462","display_name":"Haiyan Cai","orcid":"https://orcid.org/0000-0002-0280-4331"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]},{"id":"https://openalex.org/I4210128175","display_name":"Shanghai East Hospital","ror":"https://ror.org/038xmzj21","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I4210128175"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Haiyan Cai","raw_affiliation_strings":["Department of Hematology, Shanghai East Hospital, Tongji University School of Medicine, Shanghai 200120, China","Key Laboratory of Cell Differentiation and Apoptosis of the Chinese Ministry of Education, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China"],"affiliations":[{"raw_affiliation_string":"Department of Hematology, Shanghai East Hospital, Tongji University School of Medicine, Shanghai 200120, China","institution_ids":["https://openalex.org/I4210128175"]},{"raw_affiliation_string":"Key Laboratory of Cell Differentiation and Apoptosis of the Chinese Ministry of Education, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China","institution_ids":["https://openalex.org/I183067930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5115588059","display_name":"Yingying Wang","orcid":"https://orcid.org/0000-0002-3659-6139"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]},{"id":"https://openalex.org/I4210107879","display_name":"Tongren Hospital","ror":"https://ror.org/01r8rcr36","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I4210107879"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yingying Wang","raw_affiliation_strings":["Hongqiao International Institute of Medicine, Shanghai Tongren Hospital/Faculty of Basic Medicine, Shanghai 200025, China","Key Laboratory of Cell Differentiation and Apoptosis of the Chinese Ministry of Education, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China"],"affiliations":[{"raw_affiliation_string":"Hongqiao International Institute of Medicine, Shanghai Tongren Hospital/Faculty of Basic Medicine, Shanghai 200025, China","institution_ids":["https://openalex.org/I4210107879"]},{"raw_affiliation_string":"Key Laboratory of Cell Differentiation and Apoptosis of the Chinese Ministry of Education, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China","institution_ids":["https://openalex.org/I183067930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100345373","display_name":"Jing Zhang","orcid":"https://orcid.org/0000-0002-2488-5021"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jing Zhang","raw_affiliation_strings":["Key Laboratory of Cell Differentiation and Apoptosis of the Chinese Ministry of Education, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China"],"affiliations":[{"raw_affiliation_string":"Key Laboratory of Cell Differentiation and Apoptosis of the Chinese Ministry of Education, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China","institution_ids":["https://openalex.org/I183067930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002337846","display_name":"Zhenquan Wei","orcid":"https://orcid.org/0000-0003-1921-3957"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhenquan Wei","raw_affiliation_strings":["Key Laboratory of Cell Differentiation and Apoptosis of the Chinese Ministry of Education, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China"],"affiliations":[{"raw_affiliation_string":"Key Laboratory of Cell Differentiation and Apoptosis of the Chinese Ministry of Education, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China","institution_ids":["https://openalex.org/I183067930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101226514","display_name":"Teng Yan","orcid":null},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Teng Yan","raw_affiliation_strings":["Key Laboratory of Cell Differentiation and Apoptosis of the Chinese Ministry of Education, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China"],"affiliations":[{"raw_affiliation_string":"Key Laboratory of Cell Differentiation and Apoptosis of the Chinese Ministry of Education, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China","institution_ids":["https://openalex.org/I183067930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100705987","display_name":"Chenxi Feng","orcid":"https://orcid.org/0009-0007-4376-3373"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Chenxi Feng","raw_affiliation_strings":["Key Laboratory of Cell Differentiation and Apoptosis of the Chinese Ministry of Education, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China"],"affiliations":[{"raw_affiliation_string":"Key Laboratory of Cell Differentiation and Apoptosis of the Chinese Ministry of Education, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China","institution_ids":["https://openalex.org/I183067930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5083748084","display_name":"Zhijian Xu","orcid":"https://orcid.org/0000-0002-3063-8473"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210112820","display_name":"Shanghai Institute of Materia Medica","ror":"https://ror.org/022syn853","country_code":"CN","type":"facility","lineage":["https://openalex.org/I19820366","https://openalex.org/I4210112820"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhijian Xu","raw_affiliation_strings":["Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China"],"affiliations":[{"raw_affiliation_string":"Drug Discovery and Design Center, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai 201203, China","institution_ids":["https://openalex.org/I4210112820","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084605677","display_name":"Aiwu Zhou","orcid":"https://orcid.org/0000-0002-2555-5091"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Aiwu Zhou","raw_affiliation_strings":["Key Laboratory of Cell Differentiation and Apoptosis of the Chinese Ministry of Education, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China"],"affiliations":[{"raw_affiliation_string":"Key Laboratory of Cell Differentiation and Apoptosis of the Chinese Ministry of Education, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China","institution_ids":["https://openalex.org/I183067930"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5080150992","display_name":"Yingli Wu","orcid":"https://orcid.org/0000-0001-7909-8757"},"institutions":[{"id":"https://openalex.org/I183067930","display_name":"Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04","country_code":"CN","type":"education","lineage":["https://openalex.org/I183067930"]},{"id":"https://openalex.org/I4210107879","display_name":"Tongren Hospital","ror":"https://ror.org/01r8rcr36","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I4210107879"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yingli Wu","raw_affiliation_strings":["Hongqiao International Institute of Medicine, Shanghai Tongren Hospital/Faculty of Basic Medicine, Shanghai 200025, China","Key Laboratory of Cell Differentiation and Apoptosis of the Chinese Ministry of Education, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China"],"affiliations":[{"raw_affiliation_string":"Hongqiao International Institute of Medicine, Shanghai Tongren Hospital/Faculty of Basic Medicine, Shanghai 200025, China","institution_ids":["https://openalex.org/I4210107879"]},{"raw_affiliation_string":"Key Laboratory of Cell Differentiation and Apoptosis of the Chinese Ministry of Education, Shanghai Jiao Tong University School of Medicine, Shanghai 200025, China","institution_ids":["https://openalex.org/I183067930"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":9,"corresponding_author_ids":["https://openalex.org/A5080150992","https://openalex.org/A5084533462"],"corresponding_institution_ids":["https://openalex.org/I183067930","https://openalex.org/I4210107879","https://openalex.org/I4210128175"],"apc_list":null,"apc_paid":null,"fwci":2.1152,"has_fulltext":false,"cited_by_count":12,"citation_normalized_percentile":{"value":0.87025993,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":99},"biblio":{"volume":"63","issue":"15","first_page":"4780","last_page":"4790"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11051","display_name":"Sirtuins and Resveratrol in Medicine","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2717","display_name":"Geriatrics and Gerontology"},"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/T11051","display_name":"Sirtuins and Resveratrol in Medicine","score":1.0,"subfield":{"id":"https://openalex.org/subfields/2717","display_name":"Geriatrics and Gerontology"},"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/T11914","display_name":"PARP inhibition in cancer therapy","score":0.9939000010490417,"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/T13415","display_name":"Calcium signaling and nucleotide metabolism","score":0.9937999844551086,"subfield":{"id":"https://openalex.org/subfields/1314","display_name":"Physiology"},"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/sirt2","display_name":"SIRT2","score":0.9072870016098022},{"id":"https://openalex.org/keywords/acetylation","display_name":"Acetylation","score":0.6134520769119263},{"id":"https://openalex.org/keywords/leukemia","display_name":"Leukemia","score":0.5854888558387756},{"id":"https://openalex.org/keywords/cytotoxicity","display_name":"Cytotoxicity","score":0.5715655088424683},{"id":"https://openalex.org/keywords/context","display_name":"Context (archaeology)","score":0.5603156089782715},{"id":"https://openalex.org/keywords/sirtuin","display_name":"Sirtuin","score":0.5587930679321289},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5267374515533447},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.49917030334472656},{"id":"https://openalex.org/keywords/cancer-cell","display_name":"Cancer cell","score":0.4909873306751251},{"id":"https://openalex.org/keywords/apoptosis","display_name":"Apoptosis","score":0.4414439797401428},{"id":"https://openalex.org/keywords/in-vivo","display_name":"In vivo","score":0.4347692131996155},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.4203585982322693},{"id":"https://openalex.org/keywords/cancer-research","display_name":"Cancer research","score":0.4096287190914154},{"id":"https://openalex.org/keywords/in-vitro","display_name":"In vitro","score":0.3971819281578064},{"id":"https://openalex.org/keywords/cancer","display_name":"Cancer","score":0.3649340271949768},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.32958537340164185},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.3183490037918091},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2799132466316223},{"id":"https://openalex.org/keywords/nad-kinase","display_name":"NAD+ kinase","score":0.2247636914253235},{"id":"https://openalex.org/keywords/immunology","display_name":"Immunology","score":0.08284062147140503},{"id":"https://openalex.org/keywords/genetics","display_name":"Genetics","score":0.06870529055595398}],"concepts":[{"id":"https://openalex.org/C199848840","wikidata":"https://www.wikidata.org/wiki/Q18036605","display_name":"SIRT2","level":5,"score":0.9072870016098022},{"id":"https://openalex.org/C119157956","wikidata":"https://www.wikidata.org/wiki/Q796604","display_name":"Acetylation","level":3,"score":0.6134520769119263},{"id":"https://openalex.org/C2778461978","wikidata":"https://www.wikidata.org/wiki/Q29496","display_name":"Leukemia","level":2,"score":0.5854888558387756},{"id":"https://openalex.org/C109316439","wikidata":"https://www.wikidata.org/wiki/Q246181","display_name":"Cytotoxicity","level":3,"score":0.5715655088424683},{"id":"https://openalex.org/C2779343474","wikidata":"https://www.wikidata.org/wiki/Q3109175","display_name":"Context (archaeology)","level":2,"score":0.5603156089782715},{"id":"https://openalex.org/C2780561631","wikidata":"https://www.wikidata.org/wiki/Q421331","display_name":"Sirtuin","level":4,"score":0.5587930679321289},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5267374515533447},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.49917030334472656},{"id":"https://openalex.org/C96232424","wikidata":"https://www.wikidata.org/wiki/Q4118072","display_name":"Cancer cell","level":3,"score":0.4909873306751251},{"id":"https://openalex.org/C190283241","wikidata":"https://www.wikidata.org/wiki/Q14599311","display_name":"Apoptosis","level":2,"score":0.4414439797401428},{"id":"https://openalex.org/C207001950","wikidata":"https://www.wikidata.org/wiki/Q141124","display_name":"In vivo","level":2,"score":0.4347692131996155},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.4203585982322693},{"id":"https://openalex.org/C502942594","wikidata":"https://www.wikidata.org/wiki/Q3421914","display_name":"Cancer research","level":1,"score":0.4096287190914154},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.3971819281578064},{"id":"https://openalex.org/C121608353","wikidata":"https://www.wikidata.org/wiki/Q12078","display_name":"Cancer","level":2,"score":0.3649340271949768},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.32958537340164185},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.3183490037918091},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2799132466316223},{"id":"https://openalex.org/C75520062","wikidata":"https://www.wikidata.org/wiki/Q15321392","display_name":"NAD+ kinase","level":3,"score":0.2247636914253235},{"id":"https://openalex.org/C203014093","wikidata":"https://www.wikidata.org/wiki/Q101929","display_name":"Immunology","level":1,"score":0.08284062147140503},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.06870529055595398},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C151730666","wikidata":"https://www.wikidata.org/wiki/Q7205","display_name":"Paleontology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009369","descriptor_name":"Neoplasms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D009369","descriptor_name":"Neoplasms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D009369","descriptor_name":"Neoplasms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016159","descriptor_name":"Tumor Suppressor Protein p53","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D016159","descriptor_name":"Tumor Suppressor Protein p53","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D016159","descriptor_name":"Tumor Suppressor Protein p53","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017209","descriptor_name":"Apoptosis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017209","descriptor_name":"Apoptosis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017209","descriptor_name":"Apoptosis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056564","descriptor_name":"Sirtuin 1","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056564","descriptor_name":"Sirtuin 1","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056564","descriptor_name":"Sirtuin 1","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056565","descriptor_name":"Sirtuin 2","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D056565","descriptor_name":"Sirtuin 2","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D056565","descriptor_name":"Sirtuin 2","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.3c00556","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00556","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:37486605","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/37486605","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":[{"id":"https://metadata.un.org/sdg/3","score":0.8600000143051147,"display_name":"Good health and well-being"}],"awards":[{"id":"https://openalex.org/G2194337073","display_name":null,"funder_award_id":"2019HX008","funder_id":"https://openalex.org/F4320335305","funder_display_name":"School of Medicine, Shanghai Jiao Tong University"},{"id":"https://openalex.org/G2929992773","display_name":null,"funder_award_id":"32070934","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G3237944366","display_name":null,"funder_award_id":"20JC1410100","funder_id":"https://openalex.org/F4320321885","funder_display_name":"Science and Technology Commission of Shanghai Municipality"},{"id":"https://openalex.org/G3737508025","display_name":null,"funder_award_id":"82170145","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G3963524400","display_name":null,"funder_award_id":"2019-I2M-5-051","funder_id":"https://openalex.org/F4320323137","funder_display_name":"Chinese Academy of Medical Sciences"},{"id":"https://openalex.org/G4350327971","display_name":null,"funder_award_id":"81870309","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/F4320321885","display_name":"Science and Technology Commission of Shanghai Municipality","ror":"https://ror.org/03kt66j61"},{"id":"https://openalex.org/F4320323137","display_name":"Chinese Academy of Medical Sciences","ror":"https://ror.org/03cve4549"},{"id":"https://openalex.org/F4320335305","display_name":"School of Medicine, Shanghai Jiao Tong University","ror":"https://ror.org/0220qvk04"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":56,"referenced_works":["https://openalex.org/W255996521","https://openalex.org/W332616719","https://openalex.org/W1234904467","https://openalex.org/W1493846190","https://openalex.org/W1565431211","https://openalex.org/W1967388606","https://openalex.org/W1968098522","https://openalex.org/W1968132748","https://openalex.org/W1971448178","https://openalex.org/W1978302160","https://openalex.org/W1981549228","https://openalex.org/W1986072187","https://openalex.org/W1989236302","https://openalex.org/W1990931780","https://openalex.org/W2011376105","https://openalex.org/W2016047006","https://openalex.org/W2033393247","https://openalex.org/W2043901123","https://openalex.org/W2048196082","https://openalex.org/W2051960831","https://openalex.org/W2061235883","https://openalex.org/W2090408565","https://openalex.org/W2094807579","https://openalex.org/W2101690600","https://openalex.org/W2105668062","https://openalex.org/W2110118637","https://openalex.org/W2111862114","https://openalex.org/W2113588690","https://openalex.org/W2119976307","https://openalex.org/W2120956575","https://openalex.org/W2121775361","https://openalex.org/W2135751738","https://openalex.org/W2140513990","https://openalex.org/W2140925956","https://openalex.org/W2147268550","https://openalex.org/W2148213068","https://openalex.org/W2149703257","https://openalex.org/W2190924685","https://openalex.org/W2298294785","https://openalex.org/W2312699414","https://openalex.org/W2332896222","https://openalex.org/W2405840972","https://openalex.org/W2535027723","https://openalex.org/W2784043971","https://openalex.org/W2886801180","https://openalex.org/W2911963262","https://openalex.org/W2921990816","https://openalex.org/W2957983868","https://openalex.org/W2971677196","https://openalex.org/W3038867577","https://openalex.org/W3120304846","https://openalex.org/W4200208658","https://openalex.org/W4241771140","https://openalex.org/W4292528167","https://openalex.org/W4294176886","https://openalex.org/W4311612485"],"related_works":["https://openalex.org/W2227804297","https://openalex.org/W4211130151","https://openalex.org/W1823374409","https://openalex.org/W1579826661","https://openalex.org/W3112665997","https://openalex.org/W2084490228","https://openalex.org/W3004977503","https://openalex.org/W3004647542","https://openalex.org/W4386573303","https://openalex.org/W3083193124"],"abstract_inverted_index":{"The":[0,44],"sirtuin":[1],"enzyme":[2],"family":[3],"members,":[4],"SIRT1":[5,25,48,120],"and":[6,11,18,41,49,97,115,121,125,130,150,166],"SIRT2,":[7],"play":[8],"both":[9,38,119],"tumor-promoting":[10],"tumor-suppressing":[12],"roles,":[13],"depending":[14],"on":[15],"the":[16,78,103,160,177],"context":[17],"experimental":[19],"conditions.":[20],"Compounds":[21,123],"that":[22,93],"inhibit":[23],"either":[24],"or":[26],"SIRT2":[27,50],"show":[28],"promising":[29],"antitumor":[30],"effects":[31,133],"in":[32,53,156,169],"several":[33],"types":[34],"of":[35,47,80,84,102,148,163,180],"cancer":[36,55],"models,":[37],"<i>in":[39,42],"vitro</i>":[40],"vivo</i>.":[43],"simultaneous":[45],"inhibition":[46],"is":[51],"helpful":[52],"treating":[54],"by":[56],"completely":[57],"blocking":[58],"p53":[59,149],"deacetylation,":[60],"leading":[61],"to":[62,143,146],"cell":[63,137,171],"death.":[64],"However,":[65],"only":[66],"a":[67,81,89,98],"few":[68],"SIRT1/2":[69,85],"dual":[70,86],"inhibitors":[71,87],"have":[72],"been":[73],"developed.":[74],"Here,":[75],"we":[76,154],"report":[77],"discovery":[79],"novel":[82,181],"series":[83],"via":[88],"rational":[90],"drug":[91],"design":[92],"involved":[94],"virtual":[95],"screening":[96],"substructure":[99],"search.":[100],"Eleven":[101],"derived":[104],"compounds":[105,165],"exhibited":[106],"high":[107,116],"inhibitory":[108],"activities,":[109],"with":[110],"IC<sub>50</sub>":[111],"<":[112],"5":[113],"\u03bcM":[114],"specificity":[117],"for":[118,176],"SIRT2.":[122],"hsa55":[124],"PS9":[126],"strongly":[127],"induced":[128],"apoptosis":[129],"showed":[131],"antiproliferative":[132],"against":[134],"human":[135],"leukemia":[136,170],"lines,":[138],"which":[139],"could":[140],"be":[141],"due":[142],"their":[144,167],"ability":[145],"increase":[147],"\u03b1-tubulin":[151],"acetylation,":[152],"as":[153],"observed":[155],"MOLM-13":[157],"cells.":[158],"Therefore,":[159],"new":[161],"scaffolds":[162],"these":[164],"efficacy":[168],"lines":[172],"provide":[173],"important":[174],"clues":[175],"further":[178],"development":[179],"anti-leukemia":[182],"drugs.":[183]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":4},{"year":2024,"cited_by_count":7}],"updated_date":"2026-04-10T15:06:20.359241","created_date":"2025-10-10T00:00:00"}