{"id":"https://openalex.org/W2971466226","doi":"https://doi.org/10.1021/acs.jcim.9b00479","title":"Discovery of Novel Inhibitors Targeting Human O-GlcNAcase: Docking-Based Virtual Screening, Biological Evaluation, Structural Modification, and Molecular Dynamics Simulation","display_name":"Discovery of Novel Inhibitors Targeting Human O-GlcNAcase: Docking-Based Virtual Screening, Biological Evaluation, Structural Modification, and Molecular Dynamics Simulation","publication_year":2019,"publication_date":"2019-09-05","ids":{"openalex":"https://openalex.org/W2971466226","doi":"https://doi.org/10.1021/acs.jcim.9b00479","mag":"2971466226","pmid":"https://pubmed.ncbi.nlm.nih.gov/31487462"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.9b00479","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.9b00479","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/A5100721011","display_name":"Lili Dong","orcid":"https://orcid.org/0000-0002-6675-1881"},"institutions":[{"id":"https://openalex.org/I52158045","display_name":"China Agricultural University","ror":"https://ror.org/04v3ywz14","country_code":"CN","type":"education","lineage":["https://openalex.org/I52158045"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lili Dong","raw_affiliation_strings":["Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China","institution_ids":["https://openalex.org/I52158045"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009598520","display_name":"Shengqiang Shen","orcid":"https://orcid.org/0000-0001-5890-238X"},"institutions":[{"id":"https://openalex.org/I52158045","display_name":"China Agricultural University","ror":"https://ror.org/04v3ywz14","country_code":"CN","type":"education","lineage":["https://openalex.org/I52158045"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Shengqiang Shen","raw_affiliation_strings":["Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China"],"raw_orcid":"https://orcid.org/0000-0001-5890-238X","affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China","institution_ids":["https://openalex.org/I52158045"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100344298","display_name":"Wei Chen","orcid":"https://orcid.org/0000-0001-5451-6430"},"institutions":[{"id":"https://openalex.org/I4210097978","display_name":"Institute of Plant Protection","ror":"https://ror.org/0111f7045","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210097978","https://openalex.org/I4210127390","https://openalex.org/I4210138501","https://openalex.org/I4210151987"]},{"id":"https://openalex.org/I4210138501","display_name":"Chinese Academy of Agricultural Sciences","ror":"https://ror.org/0313jb750","country_code":"CN","type":"government","lineage":["https://openalex.org/I4210127390","https://openalex.org/I4210138501","https://openalex.org/I4210151987"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wei Chen","raw_affiliation_strings":["Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing 100193, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing 100193, China","institution_ids":["https://openalex.org/I4210138501","https://openalex.org/I4210097978"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5030367743","display_name":"Dongdong Xu","orcid":"https://orcid.org/0000-0002-6935-9375"},"institutions":[{"id":"https://openalex.org/I52158045","display_name":"China Agricultural University","ror":"https://ror.org/04v3ywz14","country_code":"CN","type":"education","lineage":["https://openalex.org/I52158045"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Dongdong Xu","raw_affiliation_strings":["Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China","institution_ids":["https://openalex.org/I52158045"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Qing Yang","orcid":"https://orcid.org/0000-0001-9768-5496"},"institutions":[{"id":"https://openalex.org/I4210097978","display_name":"Institute of Plant Protection","ror":"https://ror.org/0111f7045","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210097978","https://openalex.org/I4210127390","https://openalex.org/I4210138501","https://openalex.org/I4210151987"]},{"id":"https://openalex.org/I4210138501","display_name":"Chinese Academy of Agricultural Sciences","ror":"https://ror.org/0313jb750","country_code":"CN","type":"government","lineage":["https://openalex.org/I4210127390","https://openalex.org/I4210138501","https://openalex.org/I4210151987"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qing Yang","raw_affiliation_strings":["Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing 100193, China"],"raw_orcid":"https://orcid.org/0000-0001-9768-5496","affiliations":[{"raw_affiliation_string":"Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing 100193, China","institution_ids":["https://openalex.org/I4210138501","https://openalex.org/I4210097978"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058555512","display_name":"Huizhe Lu","orcid":"https://orcid.org/0000-0003-1061-9387"},"institutions":[{"id":"https://openalex.org/I52158045","display_name":"China Agricultural University","ror":"https://ror.org/04v3ywz14","country_code":"CN","type":"education","lineage":["https://openalex.org/I52158045"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Huizhe Lu","raw_affiliation_strings":["Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China"],"raw_orcid":"https://orcid.org/0000-0003-1061-9387","affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China","institution_ids":["https://openalex.org/I52158045"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100358207","display_name":"Jianjun Zhang","orcid":"https://orcid.org/0000-0003-3956-0796"},"institutions":[{"id":"https://openalex.org/I52158045","display_name":"China Agricultural University","ror":"https://ror.org/04v3ywz14","country_code":"CN","type":"education","lineage":["https://openalex.org/I52158045"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jianjun Zhang","raw_affiliation_strings":["Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China"],"raw_orcid":"https://orcid.org/0000-0003-3956-0796","affiliations":[{"raw_affiliation_string":"Department of Applied Chemistry, College of Science, China Agricultural University, Beijing 100193, China","institution_ids":["https://openalex.org/I52158045"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5058555512","https://openalex.org/A5100358207"],"corresponding_institution_ids":["https://openalex.org/I52158045"],"apc_list":null,"apc_paid":null,"fwci":1.4531,"has_fulltext":false,"cited_by_count":23,"citation_normalized_percentile":{"value":0.82344628,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":99},"biblio":{"volume":"59","issue":"10","first_page":"4374","last_page":"4382"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10602","display_name":"Glycosylation and Glycoproteins Research","score":0.9998000264167786,"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/T10602","display_name":"Glycosylation and Glycoproteins Research","score":0.9998000264167786,"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/T10835","display_name":"Carbohydrate Chemistry and Synthesis","score":0.9994000196456909,"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/T10945","display_name":"Lysosomal Storage Disorders Research","score":0.9973000288009644,"subfield":{"id":"https://openalex.org/subfields/2737","display_name":"Physiology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.7177610993385315},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5656755566596985},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.547588586807251},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.5202609300613403},{"id":"https://openalex.org/keywords/drugbank","display_name":"DrugBank","score":0.4665994644165039},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.46012353897094727},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.4365570545196533},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3690165877342224},{"id":"https://openalex.org/keywords/drug","display_name":"Drug","score":0.30315130949020386},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.29041120409965515},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.23527374863624573},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.16857537627220154},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.1190410852432251}],"concepts":[{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.7177610993385315},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5656755566596985},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.547588586807251},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5202609300613403},{"id":"https://openalex.org/C155261790","wikidata":"https://www.wikidata.org/wiki/Q1122544","display_name":"DrugBank","level":3,"score":0.4665994644165039},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.46012353897094727},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.4365570545196533},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3690165877342224},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.30315130949020386},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.29041120409965515},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.23527374863624573},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.16857537627220154},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.1190410852432251},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D001619","descriptor_name":"beta-N-Acetylhexosaminidases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D001619","descriptor_name":"beta-N-Acetylhexosaminidases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D001619","descriptor_name":"beta-N-Acetylhexosaminidases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D001619","descriptor_name":"beta-N-Acetylhexosaminidases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001619","descriptor_name":"beta-N-Acetylhexosaminidases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001619","descriptor_name":"beta-N-Acetylhexosaminidases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D001619","descriptor_name":"beta-N-Acetylhexosaminidases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001619","descriptor_name":"beta-N-Acetylhexosaminidases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001619","descriptor_name":"beta-N-Acetylhexosaminidases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002710","descriptor_name":"Chlorhexidine","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D002710","descriptor_name":"Chlorhexidine","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D002710","descriptor_name":"Chlorhexidine","qualifier_ui":"Q000494","qualifier_name":"pharmacology","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":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008942","descriptor_name":"Mitoxantrone","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D008942","descriptor_name":"Mitoxantrone","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D008942","descriptor_name":"Mitoxantrone","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011487","descriptor_name":"Protein Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","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":"D020134","descriptor_name":"Catalytic Domain","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":"D020134","descriptor_name":"Catalytic Domain","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.9b00479","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.9b00479","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:31487462","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/31487462","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":[{"display_name":"Affordable and clean energy","id":"https://metadata.un.org/sdg/7","score":0.8199999928474426}],"awards":[{"id":"https://openalex.org/G4145405176","display_name":null,"funder_award_id":"21873115","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G4377888694","display_name":"\u4e09\u79cd\u5357\u6d77\u67f3\u73ca\u745a\u4e2d\u6297MRSA\u65b0\u516b\u653e\u70f7\u4e8c\u841c\u7684\u53d1\u73b0\uff0c\u6784\u6548\u5173\u7cfb\u53ca\u4f5c\u7528\u673a\u5236\u7814\u7a76","funder_award_id":"21172230","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8070541504","display_name":null,"funder_award_id":"2019TC135","funder_id":"https://openalex.org/F4320334997","funder_display_name":"Chinese Universities Scientific Fund"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320334997","display_name":"Chinese Universities Scientific Fund","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":44,"referenced_works":["https://openalex.org/W1973060471","https://openalex.org/W1974809008","https://openalex.org/W1978280022","https://openalex.org/W1994067196","https://openalex.org/W1999804990","https://openalex.org/W2009313526","https://openalex.org/W2010057960","https://openalex.org/W2010276018","https://openalex.org/W2016015885","https://openalex.org/W2022428368","https://openalex.org/W2035895258","https://openalex.org/W2041967294","https://openalex.org/W2043628797","https://openalex.org/W2052954694","https://openalex.org/W2059023861","https://openalex.org/W2060744329","https://openalex.org/W2062941476","https://openalex.org/W2067174909","https://openalex.org/W2069123478","https://openalex.org/W2077648161","https://openalex.org/W2083232319","https://openalex.org/W2090211150","https://openalex.org/W2096306761","https://openalex.org/W2100614964","https://openalex.org/W2105103540","https://openalex.org/W2105668062","https://openalex.org/W2106140689","https://openalex.org/W2107089340","https://openalex.org/W2120036668","https://openalex.org/W2120420985","https://openalex.org/W2163107762","https://openalex.org/W2164270482","https://openalex.org/W2172247109","https://openalex.org/W2341289326","https://openalex.org/W2463054001","https://openalex.org/W2464384284","https://openalex.org/W2523021965","https://openalex.org/W2600122708","https://openalex.org/W2601233071","https://openalex.org/W2601432239","https://openalex.org/W2603194836","https://openalex.org/W2633224841","https://openalex.org/W2793200717","https://openalex.org/W2901416904"],"related_works":["https://openalex.org/W3134751040","https://openalex.org/W4280640169","https://openalex.org/W4224235344","https://openalex.org/W4312194679","https://openalex.org/W1536552954","https://openalex.org/W2059230675","https://openalex.org/W2376003823","https://openalex.org/W2773493604","https://openalex.org/W1971248099","https://openalex.org/W2269591907"],"abstract_inverted_index":{"\u03b2-N-Acetylhexosaminidases":[0],"have":[1],"emerged":[2],"as":[3,48,89,117,119],"promising":[4],"targets":[5],"for":[6,135,158],"drug":[7],"and":[8,51,105,110,123,154],"pesticide":[9],"discovery":[10],"due":[11],"to":[12,41,44,58,107,131],"their":[13],"critical":[14],"physiological":[15],"functions":[16],"in":[17],"various":[18,45],"cellular":[19],"processes.":[20],"In":[21,55],"particular,":[22],"human":[23,102],"O-GlcNAcase":[24],"(hOGA)":[25],"from":[26],"the":[27,70,133,136,147,151,159],"glycoside":[28],"hydrolase":[29],"family":[30],"84":[31],"(GH84)":[32],"has":[33],"gained":[34],"significant":[35],"attention.":[36],"This":[37,143],"enzyme":[38],"was":[39,73,87],"found":[40],"be":[42],"linked":[43],"diseases":[46],"such":[47],"diabetes,":[49],"cancer,":[50],"Alzheimer\u2019s":[52],"disease":[53],"(AD).":[54],"this":[56],"study,":[57],"develop":[59],"novel":[60],"hOGA":[61,92,163],"inhibitors":[62,140],"with":[63,94],"suitable":[64],"pharmaceutical":[65],"properties,":[66],"virtual":[67],"screening":[68],"of":[69,138,150,162],"Drugbank":[71],"database":[72],"performed":[74],"using":[75],"a":[76,90],"docking-based":[77],"approach":[78],"targeting":[79],"hOGA.":[80,142],"Chlorhexidine":[81],"(4,":[82],"Ki":[83],"=":[84],"4.0":[85],"\u03bcM)":[86],"identified":[88],"potent":[91,139],"inhibitor":[93],"excellent":[95],"selectivity":[96],"(Ki":[97],">":[98],"200":[99],"\u03bcM":[100],"against":[101,141],"\u03b2-N-acetylhexosaminidase":[103],"B)":[104],"subjected":[106],"structural":[108],"modifications":[109],"SAR":[111],"studies.":[112],"Furthermore,":[113],"molecular":[114],"dynamics":[115],"simulations":[116],"well":[118],"binding":[120],"free":[121,124],"energy":[122,125],"decomposition":[126],"calculations":[127],"were":[128],"carried":[129],"out":[130],"investigate":[132],"basis":[134],"efficiency":[137],"present":[144],"work":[145],"revealed":[146],"new":[148],"application":[149],"disinfectant":[152],"chlorhexidine":[153],"provided":[155],"useful":[156],"information":[157],"future":[160],"design":[161],"inhibitors.":[164]},"counts_by_year":[{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":6},{"year":2021,"cited_by_count":8},{"year":2020,"cited_by_count":3}],"updated_date":"2026-06-06T09:05:17.133730","created_date":"2025-10-10T00:00:00"}
