{"id":"https://openalex.org/W2291775912","doi":"https://doi.org/10.1021/acs.jcim.5b00738","title":"Identification of Novel Disruptor of Telomeric Silencing 1-like (DOT1L) Inhibitors through Structure-Based Virtual Screening and Biological Assays","display_name":"Identification of Novel Disruptor of Telomeric Silencing 1-like (DOT1L) Inhibitors through Structure-Based Virtual Screening and Biological Assays","publication_year":2016,"publication_date":"2016-02-25","ids":{"openalex":"https://openalex.org/W2291775912","doi":"https://doi.org/10.1021/acs.jcim.5b00738","mag":"2291775912","pmid":"https://pubmed.ncbi.nlm.nih.gov/26914852"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.5b00738","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5b00738","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/A5100706862","display_name":"Shijie Chen","orcid":"https://orcid.org/0000-0001-9724-7453"},"institutions":[{"id":"https://openalex.org/I30809798","display_name":"ShanghaiTech University","ror":"https://ror.org/030bhh786","country_code":"CN","type":"education","lineage":["https://openalex.org/I30809798"]},{"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"]},{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","lineage":["https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Shijie Chen","raw_affiliation_strings":["Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China","School\rof Life Science and Technology, Shanghai Tech University, Shanghai 200031, China"],"affiliations":[{"raw_affiliation_string":"Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China","institution_ids":["https://openalex.org/I4210112820","https://openalex.org/I19820366"]},{"raw_affiliation_string":"School\rof Life Science and Technology, Shanghai Tech University, Shanghai 200031, China","institution_ids":["https://openalex.org/I30809798"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060340851","display_name":"Linjuan Li","orcid":"https://orcid.org/0000-0002-5022-5641"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","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"]},{"id":"https://openalex.org/I30809798","display_name":"ShanghaiTech University","ror":"https://ror.org/030bhh786","country_code":"CN","type":"education","lineage":["https://openalex.org/I30809798"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Linjuan Li","raw_affiliation_strings":["Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China","School\rof Life Science and Technology, Shanghai Tech University, Shanghai 200031, China"],"affiliations":[{"raw_affiliation_string":"Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China","institution_ids":["https://openalex.org/I4210112820","https://openalex.org/I19820366"]},{"raw_affiliation_string":"School\rof Life Science and Technology, Shanghai Tech University, Shanghai 200031, China","institution_ids":["https://openalex.org/I30809798"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5010263267","display_name":"Yantao Chen","orcid":"https://orcid.org/0000-0001-5364-8263"},"institutions":[{"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"]},{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","lineage":["https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yantao Chen","raw_affiliation_strings":["Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China"],"affiliations":[{"raw_affiliation_string":"Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China","institution_ids":["https://openalex.org/I4210112820","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110655779","display_name":"Junchi Hu","orcid":null},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","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":"Junchi Hu","raw_affiliation_strings":["Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China"],"affiliations":[{"raw_affiliation_string":"Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China","institution_ids":["https://openalex.org/I4210112820","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100988889","display_name":"Jingqiu Liu","orcid":null},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","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":"Jingqiu Liu","raw_affiliation_strings":["Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China"],"affiliations":[{"raw_affiliation_string":"Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China","institution_ids":["https://openalex.org/I4210112820","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019379032","display_name":"Yu\u2010Chih Liu","orcid":"https://orcid.org/0000-0002-0456-2858"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Yu-Chih Liu","raw_affiliation_strings":["In Vitro\rBiology, Shanghai ChemPartner LifeScience Co., Ltd., #5 Building, 998 Halei Road, Shanghai 201203, China"],"affiliations":[{"raw_affiliation_string":"In Vitro\rBiology, Shanghai ChemPartner LifeScience Co., Ltd., #5 Building, 998 Halei Road, Shanghai 201203, China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5046899351","display_name":"Rongfeng Liu","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Rongfeng Liu","raw_affiliation_strings":["In Vitro\rBiology, Shanghai ChemPartner LifeScience Co., Ltd., #5 Building, 998 Halei Road, Shanghai 201203, China"],"affiliations":[{"raw_affiliation_string":"In Vitro\rBiology, Shanghai ChemPartner LifeScience Co., Ltd., #5 Building, 998 Halei Road, Shanghai 201203, China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100320657","display_name":"Yuanyuan Zhang","orcid":"https://orcid.org/0000-0002-4382-024X"},"institutions":[{"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"]},{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","lineage":["https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yuanyuan Zhang","raw_affiliation_strings":["Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China"],"affiliations":[{"raw_affiliation_string":"Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China","institution_ids":["https://openalex.org/I4210112820","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5003989655","display_name":"Fanwang Meng","orcid":"https://orcid.org/0000-0003-2886-7012"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","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":"Fanwang Meng","raw_affiliation_strings":["Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China"],"affiliations":[{"raw_affiliation_string":"Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China","institution_ids":["https://openalex.org/I4210112820","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102803157","display_name":"Kongkai Zhu","orcid":"https://orcid.org/0000-0003-2293-3568"},"institutions":[{"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"]},{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","lineage":["https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Kongkai Zhu","raw_affiliation_strings":["Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China"],"affiliations":[{"raw_affiliation_string":"Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China","institution_ids":["https://openalex.org/I4210112820","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5077710470","display_name":"Junyan Lu","orcid":"https://orcid.org/0000-0002-9211-0746"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","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":"Junyan Lu","raw_affiliation_strings":["Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China"],"affiliations":[{"raw_affiliation_string":"Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China","institution_ids":["https://openalex.org/I4210112820","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075749706","display_name":"Mingyue Zheng","orcid":"https://orcid.org/0000-0002-3323-3092"},"institutions":[{"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"]},{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","lineage":["https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Mingyue Zheng","raw_affiliation_strings":["Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China"],"affiliations":[{"raw_affiliation_string":"Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China","institution_ids":["https://openalex.org/I4210112820","https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5105978526","display_name":"Kaixian Chen","orcid":"https://orcid.org/0000-0001-9497-0689"},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","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"]},{"id":"https://openalex.org/I30809798","display_name":"ShanghaiTech University","ror":"https://ror.org/030bhh786","country_code":"CN","type":"education","lineage":["https://openalex.org/I30809798"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Kaixian Chen","raw_affiliation_strings":["Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China","School\rof Life Science and Technology, Shanghai Tech University, Shanghai 200031, China"],"affiliations":[{"raw_affiliation_string":"Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China","institution_ids":["https://openalex.org/I4210112820","https://openalex.org/I19820366"]},{"raw_affiliation_string":"School\rof Life Science and Technology, Shanghai Tech University, Shanghai 200031, China","institution_ids":["https://openalex.org/I30809798"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100405947","display_name":"Jin Zhang","orcid":"https://orcid.org/0000-0002-2566-7501"},"institutions":[{"id":"https://openalex.org/I2800570007","display_name":"Renji Hospital","ror":"https://ror.org/03ypbx660","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I2800570007"]},{"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":"Jin Zhang","raw_affiliation_strings":["Department\rof Urology, Renji Hospital, School of Medicine, Shanghai Jiao Tong University, Shanghai 200127, China"],"affiliations":[{"raw_affiliation_string":"Department\rof Urology, Renji Hospital, School of Medicine, Shanghai Jiao Tong University, Shanghai 200127, China","institution_ids":["https://openalex.org/I2800570007","https://openalex.org/I183067930"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5001392142","display_name":"Hualiang Jiang","orcid":"https://orcid.org/0000-0003-0656-6315"},"institutions":[{"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"]},{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I30809798","display_name":"ShanghaiTech University","ror":"https://ror.org/030bhh786","country_code":"CN","type":"education","lineage":["https://openalex.org/I30809798"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hualiang Jiang","raw_affiliation_strings":["Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China","School\rof Life Science and Technology, Shanghai Tech University, Shanghai 200031, China"],"affiliations":[{"raw_affiliation_string":"Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China","institution_ids":["https://openalex.org/I4210112820","https://openalex.org/I19820366"]},{"raw_affiliation_string":"School\rof Life Science and Technology, Shanghai Tech University, Shanghai 200031, China","institution_ids":["https://openalex.org/I30809798"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047145603","display_name":"Zhiyi Yao","orcid":"https://orcid.org/0000-0003-2322-8166"},"institutions":[{"id":"https://openalex.org/I67001856","display_name":"Shanghai Institute of Technology","ror":"https://ror.org/00fjzqj15","country_code":"CN","type":"education","lineage":["https://openalex.org/I67001856"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhiyi Yao","raw_affiliation_strings":["College\rof Chemical and Environmental Engineering, Shanghai Institute of Technology, Shanghai 210032, China"],"affiliations":[{"raw_affiliation_string":"College\rof Chemical and Environmental Engineering, Shanghai Institute of Technology, Shanghai 210032, China","institution_ids":["https://openalex.org/I67001856"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5024637740","display_name":"Cheng Luo","orcid":"https://orcid.org/0000-0003-3864-8382"},"institutions":[{"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"]},{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"funder","lineage":["https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Cheng Luo","raw_affiliation_strings":["Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China"],"affiliations":[{"raw_affiliation_string":"Drug\rDiscovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, 555 Zu Chongzhi\rRoad, Shanghai 201203, China","institution_ids":["https://openalex.org/I4210112820","https://openalex.org/I19820366"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":17,"corresponding_author_ids":["https://openalex.org/A5100706862"],"corresponding_institution_ids":["https://openalex.org/I19820366","https://openalex.org/I30809798","https://openalex.org/I4210112820"],"apc_list":null,"apc_paid":null,"fwci":2.3342,"has_fulltext":false,"cited_by_count":31,"citation_normalized_percentile":{"value":0.88170655,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":93,"max":98},"biblio":{"volume":"56","issue":"3","first_page":"527","last_page":"534"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10269","display_name":"Epigenetics and DNA Methylation","score":0.9988999962806702,"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/T10269","display_name":"Epigenetics and DNA Methylation","score":0.9988999962806702,"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/T10222","display_name":"Genomics and Chromatin Dynamics","score":0.996399998664856,"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/T13157","display_name":"Cancer-related gene regulation","score":0.9962999820709229,"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/virtual-screening","display_name":"Virtual screening","score":0.6517882943153381},{"id":"https://openalex.org/keywords/methyltransferase","display_name":"Methyltransferase","score":0.6211497783660889},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5495825409889221},{"id":"https://openalex.org/keywords/gene-silencing","display_name":"Gene silencing","score":0.5250009298324585},{"id":"https://openalex.org/keywords/histone","display_name":"Histone","score":0.49120256304740906},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.44026950001716614},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.39844006299972534},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.36219799518585205},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.34211140871047974},{"id":"https://openalex.org/keywords/cancer-research","display_name":"Cancer research","score":0.3228440582752228},{"id":"https://openalex.org/keywords/methylation","display_name":"Methylation","score":0.23757129907608032},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.09191939234733582}],"concepts":[{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.6517882943153381},{"id":"https://openalex.org/C91965660","wikidata":"https://www.wikidata.org/wiki/Q415875","display_name":"Methyltransferase","level":4,"score":0.6211497783660889},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5495825409889221},{"id":"https://openalex.org/C119056186","wikidata":"https://www.wikidata.org/wiki/Q1431332","display_name":"Gene silencing","level":3,"score":0.5250009298324585},{"id":"https://openalex.org/C64927066","wikidata":"https://www.wikidata.org/wiki/Q36293","display_name":"Histone","level":3,"score":0.49120256304740906},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.44026950001716614},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.39844006299972534},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.36219799518585205},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.34211140871047974},{"id":"https://openalex.org/C502942594","wikidata":"https://www.wikidata.org/wiki/Q3421914","display_name":"Cancer research","level":1,"score":0.3228440582752228},{"id":"https://openalex.org/C33288867","wikidata":"https://www.wikidata.org/wiki/Q518328","display_name":"Methylation","level":3,"score":0.23757129907608032},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.09191939234733582}],"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":"D008780","descriptor_name":"Methyltransferases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D008780","descriptor_name":"Methyltransferases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D008780","descriptor_name":"Methyltransferases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D011495","descriptor_name":"Histone-Lysine N-Methyltransferase","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011495","descriptor_name":"Histone-Lysine N-Methyltransferase","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011495","descriptor_name":"Histone-Lysine N-Methyltransferase","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016615","descriptor_name":"Telomere","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016615","descriptor_name":"Telomere","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D016615","descriptor_name":"Telomere","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020349","descriptor_name":"Surface Plasmon Resonance","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020349","descriptor_name":"Surface Plasmon Resonance","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020349","descriptor_name":"Surface Plasmon Resonance","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020868","descriptor_name":"Gene Silencing","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020868","descriptor_name":"Gene Silencing","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020868","descriptor_name":"Gene Silencing","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.5b00738","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5b00738","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:26914852","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/26914852","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":[{"score":0.5400000214576721,"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3"}],"awards":[{"id":"https://openalex.org/G1257934312","display_name":null,"funder_award_id":"2013ZX09507-004","funder_id":"https://openalex.org/F4320321540","funder_display_name":"Ministry of Science and Technology of the People's Republic of China"},{"id":"https://openalex.org/G1359023053","display_name":null,"funder_award_id":"2013ZX09507001","funder_id":"https://openalex.org/F4320321540","funder_display_name":"Ministry of Science and Technology of the People's Republic of China"},{"id":"https://openalex.org/G1969036113","display_name":null,"funder_award_id":"81202398","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G3806362303","display_name":null,"funder_award_id":"81230076","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G4704691031","display_name":null,"funder_award_id":"81430084","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G563361472","display_name":null,"funder_award_id":"21210003","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6306465679","display_name":null,"funder_award_id":"2014AA01A302","funder_id":"https://openalex.org/F4320321540","funder_display_name":"Ministry of Science and Technology of the People's Republic of China"},{"id":"https://openalex.org/G7604566709","display_name":null,"funder_award_id":"91229204","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G7670010256","display_name":null,"funder_award_id":"2014ZX09507002","funder_id":"https://openalex.org/F4320321540","funder_display_name":"Ministry of Science and Technology of the People's Republic of China"},{"id":"https://openalex.org/G8772947954","display_name":null,"funder_award_id":"2015CB910304","funder_id":"https://openalex.org/F4320321540","funder_display_name":"Ministry of Science and Technology of the People's Republic 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/F4320321540","display_name":"Ministry of Science and Technology of the People's Republic of China","ror":"https://ror.org/027s68j25"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":50,"referenced_works":["https://openalex.org/W88212337","https://openalex.org/W1554188613","https://openalex.org/W1610516579","https://openalex.org/W1968319881","https://openalex.org/W1970825229","https://openalex.org/W1973059973","https://openalex.org/W1979157667","https://openalex.org/W1985588649","https://openalex.org/W1993790725","https://openalex.org/W1996600754","https://openalex.org/W2002698073","https://openalex.org/W2004499293","https://openalex.org/W2005829971","https://openalex.org/W2009423060","https://openalex.org/W2011152373","https://openalex.org/W2012957359","https://openalex.org/W2014747141","https://openalex.org/W2015469418","https://openalex.org/W2027423337","https://openalex.org/W2039940539","https://openalex.org/W2042488075","https://openalex.org/W2043509228","https://openalex.org/W2048613921","https://openalex.org/W2059382988","https://openalex.org/W2069918359","https://openalex.org/W2075907707","https://openalex.org/W2076333986","https://openalex.org/W2082592723","https://openalex.org/W2084363170","https://openalex.org/W2087188627","https://openalex.org/W2090742236","https://openalex.org/W2091208410","https://openalex.org/W2102377211","https://openalex.org/W2103894819","https://openalex.org/W2104082208","https://openalex.org/W2104954848","https://openalex.org/W2110726136","https://openalex.org/W2113181160","https://openalex.org/W2123499078","https://openalex.org/W2127760066","https://openalex.org/W2131942706","https://openalex.org/W2135732933","https://openalex.org/W2138807501","https://openalex.org/W2151243189","https://openalex.org/W2154607830","https://openalex.org/W2158562032","https://openalex.org/W2172205939","https://openalex.org/W2175028436","https://openalex.org/W2326246873","https://openalex.org/W4212766227"],"related_works":["https://openalex.org/W4316690323","https://openalex.org/W2089104969","https://openalex.org/W3147900171","https://openalex.org/W3180887190","https://openalex.org/W2320211095","https://openalex.org/W2308164565","https://openalex.org/W2059230675","https://openalex.org/W2376003823","https://openalex.org/W2594726310","https://openalex.org/W2355193834"],"abstract_inverted_index":{"Histone":[0],"methyltransferases":[1],"are":[2,14],"involved":[3],"in":[4,11,29,41,115],"many":[5],"important":[6,39],"biological":[7],"processes,":[8],"and":[9,18,49,144],"abnormalities":[10],"these":[12],"enzymes":[13],"associated":[15],"with":[16,75,108,125,166],"tumorigenesis":[17],"progression.":[19],"Disruptor":[20],"of":[21,44,95,112,129,138,154,162],"telomeric":[22],"silencing":[23],"1-like":[24],"(DOT1L),":[25],"a":[26,53,62,93,109],"key":[27],"hub":[28],"histone":[30],"lysine":[31],"methyltransferases,":[32],"has":[33],"been":[34],"reported":[35],"to":[36,51,104,106],"play":[37],"an":[38,126],"role":[40],"the":[42,135,147,151,160],"processes":[43],"mixed-lineage":[45],"leukemia":[46],"(MLL)-rearranged":[47],"leukemias":[48],"validated":[50],"be":[52],"potential":[54],"therapeutic":[55],"target.":[56],"In":[57],"this":[58,118,157],"study,":[59],"we":[60],"identified":[61],"novel":[63,167],"DOT1L":[64,87,107,164],"inhibitor,":[65],"DC_L115":[66,81,101,139],"(CAS":[67],"no.":[68],"1163729-79-0),":[69],"by":[70],"combining":[71],"structure-based":[72],"virtual":[73],"screening":[74],"biochemical":[76],"analyses.":[77],"This":[78],"potent":[79,163],"inhibitor":[80,148],"shows":[82],"high":[83],"inhibitory":[84],"activity":[85],"toward":[86],"(IC50":[88],"=":[89],"1.5":[90],"\u03bcM).":[91],"Through":[92],"process":[94],"surface":[96],"plasmon":[97],"resonance-based":[98],"binding":[99,110,136,152],"assays,":[100],"was":[102],"founded":[103],"bind":[105],"affinity":[111],"0.6":[113],"\u03bcM":[114],"vitro.":[116],"Moreover,":[117],"compound":[119],"selectively":[120],"inhibits":[121],"MLL-rearranged":[122],"cell":[123],"proliferation":[124],"IC50":[127],"value":[128],"37.1":[130],"\u03bcM.":[131],"We":[132],"further":[133],"predicted":[134],"modes":[137],"through":[140],"molecular":[141],"docking":[142],"analysis":[143],"found":[145],"that":[146],"competitively":[149],"occupies":[150],"site":[153],"S-adenosylmethionine.":[155],"Overall,":[156],"study":[158],"demonstrates":[159],"development":[161],"inhibitors":[165],"scaffolds.":[168]},"counts_by_year":[{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":5},{"year":2021,"cited_by_count":2},{"year":2020,"cited_by_count":2},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":4},{"year":2017,"cited_by_count":4},{"year":2016,"cited_by_count":3}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
