{"id":"https://openalex.org/W2999320437","doi":"https://doi.org/10.3390/ecsoc-23-06505","title":"AURONE AS PROMISING HUMAN PANCREATIC LIPASE INHIBITORS THROUGH IN SILICO STUDY","display_name":"AURONE AS PROMISING HUMAN PANCREATIC LIPASE INHIBITORS THROUGH IN SILICO STUDY","publication_year":2019,"publication_date":"2019-11-14","ids":{"openalex":"https://openalex.org/W2999320437","doi":"https://doi.org/10.3390/ecsoc-23-06505","mag":"2999320437"},"language":"en","primary_location":{"id":"doi:10.3390/ecsoc-23-06505","doi":"https://doi.org/10.3390/ecsoc-23-06505","is_oa":true,"landing_page_url":"https://doi.org/10.3390/ecsoc-23-06505","pdf_url":"https://sciforum.net/paper/download/6505/manuscript","source":{"id":"https://openalex.org/S4306523851","display_name":"International Electronic Conference on Synthetic Organic Chemistry (ECSOC)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"conference"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of The 23rd International Electronic Conference on Synthetic Organic Chemistry","raw_type":"proceedings-article"},"volume":null,"type":"conference-paper","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://sciforum.net/paper/download/6505/manuscript","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5089531486","display_name":"Phuong Thuy Viet Nguyen","orcid":"https://orcid.org/0000-0002-0233-8692","observed_orcids":["https://orcid.org/0000-0002-0233-8692"]},"institutions":[{"id":"https://openalex.org/I2802508454","display_name":"University of Medicine and Pharmacy at Ho Chi Minh City","ror":"https://ror.org/025kb2624","country_code":"VN","type":"education","lineage":["https://openalex.org/I2802508454"]}],"countries":["VN"],"is_corresponding":false,"raw_author_name":"Phuong Nguyen","raw_affiliation_strings":["University of Medicine and Pharmacy at Ho Chi Minh city, Viet Nam"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Medicine and Pharmacy at Ho Chi Minh city, Viet Nam","institution_ids":["https://openalex.org/I2802508454"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016320542","display_name":"Dao Tran","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I2802508454","display_name":"University of Medicine and Pharmacy at Ho Chi Minh City","ror":"https://ror.org/025kb2624","country_code":"VN","type":"education","lineage":["https://openalex.org/I2802508454"]}],"countries":["VN"],"is_corresponding":false,"raw_author_name":"Dao Tran","raw_affiliation_strings":["University of Medicine and Pharmacy at Ho Chi Minh city, Viet Nam"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Medicine and Pharmacy at Ho Chi Minh city, Viet Nam","institution_ids":["https://openalex.org/I2802508454"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5110716750","display_name":"Han Ai Huynh","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I2802508454","display_name":"University of Medicine and Pharmacy at Ho Chi Minh City","ror":"https://ror.org/025kb2624","country_code":"VN","type":"education","lineage":["https://openalex.org/I2802508454"]}],"countries":["VN"],"is_corresponding":false,"raw_author_name":"Han Huynh","raw_affiliation_strings":["University of Medicine and Pharmacy at Ho Chi Minh city, Viet Nam"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Medicine and Pharmacy at Ho Chi Minh city, Viet Nam","institution_ids":["https://openalex.org/I2802508454"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":["https://openalex.org/I2802508454"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"6505","last_page":"6505"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9282000064849854,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9282000064849854,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12257","display_name":"Bioactive natural compounds","score":0.05169999971985817,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T11140","display_name":"Natural Antidiabetic Agents Studies","score":0.005100000184029341,"subfield":{"id":"https://openalex.org/subfields/2712","display_name":"Endocrinology, Diabetes and Metabolism"},"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/aurones","display_name":"aurones","score":0.8230000138282776},{"id":"https://openalex.org/keywords/flavonoids","display_name":"flavonoids","score":0.9010000228881836},{"id":"https://openalex.org/keywords/pancreatic-lipase-inhibitors","display_name":"pancreatic lipase inhibitors","score":0.902999997138977},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.7450000047683716},{"id":"https://openalex.org/keywords/molecular-dynamics-simulation","display_name":"molecular dynamics simulation","score":0.8569999933242798},{"id":"https://openalex.org/keywords/catalytic-triad","display_name":"catalytic triad","score":0.7009999752044678},{"id":"https://openalex.org/keywords/lead-identification","display_name":"lead compound identification","score":0.5609999895095825},{"id":"https://openalex.org/keywords/drug-likeness","display_name":"drug-likeness","score":0.6809999942779541},{"id":"https://openalex.org/keywords/oral-bioavailability","display_name":"oral bioavailability","score":0.6710000038146973}],"concepts":[{"id":"https://openalex.org/C2779697368","wikidata":"https://www.wikidata.org/wiki/Q380967","display_name":"Lipase","level":3,"score":0.7909281849861145},{"id":"https://openalex.org/C65556437","wikidata":"https://www.wikidata.org/wiki/Q766195","display_name":"Protein Data Bank (RCSB PDB)","level":2,"score":0.7645774483680725},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.713982880115509},{"id":"https://openalex.org/C175106660","wikidata":"https://www.wikidata.org/wiki/Q424693","display_name":"Pancreatic lipase","level":4,"score":0.7113844752311707},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.7070638537406921},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6373019814491272},{"id":"https://openalex.org/C2780152424","wikidata":"https://www.wikidata.org/wiki/Q4826062","display_name":"AutoDock","level":4,"score":0.5486364364624023},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.4631596803665161},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.4388276934623718},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.41163092851638794},{"id":"https://openalex.org/C145770059","wikidata":"https://www.wikidata.org/wiki/Q751908","display_name":"Catalytic triad","level":4,"score":0.4111626148223877},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.3349812924861908},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.3390/ecsoc-23-06505","doi":"https://doi.org/10.3390/ecsoc-23-06505","is_oa":true,"landing_page_url":"https://doi.org/10.3390/ecsoc-23-06505","pdf_url":"https://sciforum.net/paper/download/6505/manuscript","source":{"id":"https://openalex.org/S4306523851","display_name":"International Electronic Conference on Synthetic Organic Chemistry (ECSOC)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"conference"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of The 23rd International Electronic Conference on Synthetic Organic Chemistry","raw_type":"proceedings-article"}],"best_oa_location":{"id":"doi:10.3390/ecsoc-23-06505","doi":"https://doi.org/10.3390/ecsoc-23-06505","is_oa":true,"landing_page_url":"https://doi.org/10.3390/ecsoc-23-06505","pdf_url":"https://sciforum.net/paper/download/6505/manuscript","source":{"id":"https://openalex.org/S4306523851","display_name":"International Electronic Conference on Synthetic Organic Chemistry (ECSOC)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"conference"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Proceedings of The 23rd International Electronic Conference on Synthetic Organic Chemistry","raw_type":"proceedings-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.5683000087738037,"display_name":"Good health and well-being"}],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320309617","display_name":"National Foundation for Science and Technology Development","ror":"https://ror.org/04rw64z44"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2999320437.pdf","grobid_xml":"https://content.openalex.org/works/W2999320437.grobid-xml"},"referenced_works_count":26,"referenced_works":["https://openalex.org/W43203608","https://openalex.org/W846493007","https://openalex.org/W1969172212","https://openalex.org/W2012176370","https://openalex.org/W2016873500","https://openalex.org/W2046429206","https://openalex.org/W2050062164","https://openalex.org/W2058099390","https://openalex.org/W2066197031","https://openalex.org/W2069006090","https://openalex.org/W2084095036","https://openalex.org/W2115731835","https://openalex.org/W2118571345","https://openalex.org/W2134967712","https://openalex.org/W2177995985","https://openalex.org/W2188099111","https://openalex.org/W2339568953","https://openalex.org/W2417920832","https://openalex.org/W2621928136","https://openalex.org/W2623648302","https://openalex.org/W2774063700","https://openalex.org/W2858257118","https://openalex.org/W2952243836","https://openalex.org/W4242372416","https://openalex.org/W4248107770","https://openalex.org/W4253765525"],"related_works":["https://openalex.org/W3092849866","https://openalex.org/W4389287197","https://openalex.org/W4401170261","https://openalex.org/W4298101618","https://openalex.org/W7131839746","https://openalex.org/W7130722272","https://openalex.org/W4416029100","https://openalex.org/W4391163988","https://openalex.org/W7221708865","https://openalex.org/W6921131056"],"abstract_inverted_index":{"In":[0,60],"this":[1,99],"study,":[2],"82":[3],"aurone":[4],"compounds,":[5],"a":[6,110],"subclass":[7],"of":[8,21,31,57,86,92],"flavonoids":[9],"were":[10],"investigated":[11],"towards":[12],"to":[13],"human":[14],"pancreatic":[15,133],"lipase":[16,32,134],"inhibitory":[17],"activity.":[18],"Molecular":[19],"docking":[20,87],"the":[22,28,51,66,80,84,103,117,123],"aurones":[23],"was":[24,63,120],"done":[25],"successfully":[26],"into":[27],"catalytic":[29,52],"position":[30],"(Pdb:":[33],"1LPB)":[34],"using":[35],"AutoDock":[36],"Vina":[37],"software":[38],"1.5.7.rc1.":[39],"The":[40],"results":[41,85],"showed":[42],"that":[43,102],"62":[44],"compounds":[45],"interacted":[46],"well":[47,107],"with":[48,113],"residues":[49],"in":[50],"trial":[53],"Ser152-Asp176-His263":[54],"and":[55,74,88,108,130],"Phe77":[56],"protein":[58,94],"1LPB.":[59],"particular,":[61],"A32":[62,104,118],"selected":[64],"as":[65,122],"best":[67],"binding":[68],"compound":[69,105,119,125],"(docking":[70],"score:":[71],"-10.6":[72],"kcal.mol-1)":[73],"suitable":[75],"for":[76,132],"oral":[77],"drug":[78],"following":[79],"5-Lipinski":[81],"rule.":[82],"Combining":[83],"molecular":[89],"dynamics":[90],"simulation":[91],"A32-":[93],"complex":[95,112],"during":[96],"10":[97],"ns,":[98],"study":[100],"performed":[101],"bound":[106],"formed":[109],"stable":[111],"1LPB":[114],"protein.":[115],"Therefore,":[116],"considered":[121],"lead":[124],"which":[126],"could":[127],"be":[128],"synthesized":[129],"tested":[131],"inhibitor.":[135]},"counts_by_year":[],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2020-01-23T00:00:00"}
