{"id":"https://openalex.org/W2295627890","doi":"https://doi.org/10.1021/acs.jcim.5b00658","title":"Optimized Virtual Screening Workflow for the Identification of Novel G-Quadruplex Ligands","display_name":"Optimized Virtual Screening Workflow for the Identification of Novel G-Quadruplex Ligands","publication_year":2016,"publication_date":"2016-02-03","ids":{"openalex":"https://openalex.org/W2295627890","doi":"https://doi.org/10.1021/acs.jcim.5b00658","mag":"2295627890","pmid":"https://pubmed.ncbi.nlm.nih.gov/26841201"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.5b00658","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5b00658","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/A5055426888","display_name":"Teresa Kaserer","orcid":"https://orcid.org/0000-0003-0372-1885"},"institutions":[{"id":"https://openalex.org/I190249584","display_name":"Universit\u00e4t Innsbruck","ror":"https://ror.org/054pv6659","country_code":"AT","type":"education","lineage":["https://openalex.org/I190249584"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Teresa Kaserer","raw_affiliation_strings":["Computer-Aided\rMolecular Design Group, Institute of Pharmacy/Pharmaceutical Chemistry\rand Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, Innrain 80-82, 6020 Innsbruck, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computer-Aided\rMolecular Design Group, Institute of Pharmacy/Pharmaceutical Chemistry\rand Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, Innrain 80-82, 6020 Innsbruck, Austria","institution_ids":["https://openalex.org/I190249584"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5083221156","display_name":"Riccardo Rigo","orcid":"https://orcid.org/0000-0002-6394-1583"},"institutions":[{"id":"https://openalex.org/I138689650","display_name":"University of Padua","ror":"https://ror.org/00240q980","country_code":"IT","type":"education","lineage":["https://openalex.org/I138689650"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Riccardo Rigo","raw_affiliation_strings":["Department\rof Pharmaceutical and Pharmacological Sciences, University of Padova, via Marzolo 5, 35131 Padova, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department\rof Pharmaceutical and Pharmacological Sciences, University of Padova, via Marzolo 5, 35131 Padova, Italy","institution_ids":["https://openalex.org/I138689650"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063711729","display_name":"P. Schuster","orcid":"https://orcid.org/0000-0001-9919-931X"},"institutions":[{"id":"https://openalex.org/I190249584","display_name":"Universit\u00e4t Innsbruck","ror":"https://ror.org/054pv6659","country_code":"AT","type":"education","lineage":["https://openalex.org/I190249584"]}],"countries":["AT"],"is_corresponding":false,"raw_author_name":"Philipp Schuster","raw_affiliation_strings":["Computer-Aided\rMolecular Design Group, Institute of Pharmacy/Pharmaceutical Chemistry\rand Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, Innrain 80-82, 6020 Innsbruck, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computer-Aided\rMolecular Design Group, Institute of Pharmacy/Pharmaceutical Chemistry\rand Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, Innrain 80-82, 6020 Innsbruck, Austria","institution_ids":["https://openalex.org/I190249584"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022120195","display_name":"Stefano Alcaro","orcid":"https://orcid.org/0000-0002-0437-358X"},"institutions":[{"id":"https://openalex.org/I36443711","display_name":"Magna Graecia University","ror":"https://ror.org/0530bdk91","country_code":"IT","type":"education","lineage":["https://openalex.org/I36443711"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Stefano Alcaro","raw_affiliation_strings":["Dipartimento\rdi Scienze della Salute, Universit\u00e0 \u201cMagna Graecia\u201d di Catanzaro, Campus \u201cS. Venuta\u201d, Viale Europa, 88100 Catanzaro, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dipartimento\rdi Scienze della Salute, Universit\u00e0 \u201cMagna Graecia\u201d di Catanzaro, Campus \u201cS. Venuta\u201d, Viale Europa, 88100 Catanzaro, Italy","institution_ids":["https://openalex.org/I36443711"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075876145","display_name":"Claudia Sissi","orcid":"https://orcid.org/0000-0002-9713-1415"},"institutions":[{"id":"https://openalex.org/I138689650","display_name":"University of Padua","ror":"https://ror.org/00240q980","country_code":"IT","type":"education","lineage":["https://openalex.org/I138689650"]}],"countries":["IT"],"is_corresponding":false,"raw_author_name":"Claudia Sissi","raw_affiliation_strings":["Department\rof Pharmaceutical and Pharmacological Sciences, University of Padova, via Marzolo 5, 35131 Padova, Italy"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department\rof Pharmaceutical and Pharmacological Sciences, University of Padova, via Marzolo 5, 35131 Padova, Italy","institution_ids":["https://openalex.org/I138689650"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5005983172","display_name":"Daniela Schuster","orcid":"https://orcid.org/0000-0002-9933-8938"},"institutions":[{"id":"https://openalex.org/I190249584","display_name":"Universit\u00e4t Innsbruck","ror":"https://ror.org/054pv6659","country_code":"AT","type":"education","lineage":["https://openalex.org/I190249584"]}],"countries":["AT"],"is_corresponding":true,"raw_author_name":"Daniela Schuster","raw_affiliation_strings":["Computer-Aided\rMolecular Design Group, Institute of Pharmacy/Pharmaceutical Chemistry\rand Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, Innrain 80-82, 6020 Innsbruck, Austria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computer-Aided\rMolecular Design Group, Institute of Pharmacy/Pharmaceutical Chemistry\rand Center for Molecular Biosciences Innsbruck (CMBI), University of Innsbruck, Innrain 80-82, 6020 Innsbruck, Austria","institution_ids":["https://openalex.org/I190249584"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5005983172"],"corresponding_institution_ids":["https://openalex.org/I190249584"],"apc_list":null,"apc_paid":null,"fwci":0.9618,"has_fulltext":false,"cited_by_count":20,"citation_normalized_percentile":{"value":0.75997265,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"56","issue":"3","first_page":"484","last_page":"500"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10432","display_name":"DNA and Nucleic Acid Chemistry","score":0.9998999834060669,"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/T10432","display_name":"DNA and Nucleic Acid Chemistry","score":0.9998999834060669,"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/T10207","display_name":"Advanced biosensing and bioanalysis techniques","score":0.9994000196456909,"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/T10725","display_name":"RNA Interference and Gene Delivery","score":0.998199999332428,"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":0.8688557147979736},{"id":"https://openalex.org/keywords/pharmacophore","display_name":"Pharmacophore","score":0.8057369589805603},{"id":"https://openalex.org/keywords/g-quadruplex","display_name":"G-quadruplex","score":0.7782946825027466},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.7413778901100159},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.6424521803855896},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.5860130190849304},{"id":"https://openalex.org/keywords/telomere","display_name":"Telomere","score":0.566453754901886},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.5609275698661804},{"id":"https://openalex.org/keywords/duplex","display_name":"Duplex (building)","score":0.5233266353607178},{"id":"https://openalex.org/keywords/workflow","display_name":"Workflow","score":0.476614385843277},{"id":"https://openalex.org/keywords/dna","display_name":"DNA","score":0.46789658069610596},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.41519129276275635},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.27192410826683044},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.26349183917045593},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2360340654850006},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.1900986135005951},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.07757300138473511}],"concepts":[{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.8688557147979736},{"id":"https://openalex.org/C56173144","wikidata":"https://www.wikidata.org/wiki/Q1539893","display_name":"Pharmacophore","level":2,"score":0.8057369589805603},{"id":"https://openalex.org/C83762044","wikidata":"https://www.wikidata.org/wiki/Q411641","display_name":"G-quadruplex","level":3,"score":0.7782946825027466},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.7413778901100159},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.6424521803855896},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5860130190849304},{"id":"https://openalex.org/C177336024","wikidata":"https://www.wikidata.org/wiki/Q14872779","display_name":"Telomere","level":3,"score":0.566453754901886},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.5609275698661804},{"id":"https://openalex.org/C99611785","wikidata":"https://www.wikidata.org/wiki/Q6453233","display_name":"Duplex (building)","level":3,"score":0.5233266353607178},{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.476614385843277},{"id":"https://openalex.org/C552990157","wikidata":"https://www.wikidata.org/wiki/Q7430","display_name":"DNA","level":2,"score":0.46789658069610596},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.41519129276275635},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.27192410826683044},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.26349183917045593},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2360340654850006},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.1900986135005951},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.07757300138473511},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D005453","descriptor_name":"Fluorescence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005453","descriptor_name":"Fluorescence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005453","descriptor_name":"Fluorescence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","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":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D054856","descriptor_name":"G-Quadruplexes","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D054856","descriptor_name":"G-Quadruplexes","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D054856","descriptor_name":"G-Quadruplexes","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D057188","descriptor_name":"Workflow","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D057188","descriptor_name":"Workflow","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D057188","descriptor_name":"Workflow","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.5b00658","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.5b00658","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:26841201","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/26841201","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},{"id":"pmh:oai:www.research.unipd.it:11577/3217783","is_oa":false,"landing_page_url":"http://hdl.handle.net/11577/3217783","pdf_url":null,"source":{"id":"https://openalex.org/S4306402547","display_name":"Padua Research Archive (University of Padova)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I138689650","host_organization_name":"University of Padua","host_organization_lineage":["https://openalex.org/I138689650"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.5400000214576721}],"awards":[],"funders":[{"id":"https://openalex.org/F4320321873","display_name":"Ministero dell\u2019Istruzione, dell\u2019Universit\u00e0 e della Ricerca","ror":"https://ror.org/0166hxq48"},{"id":"https://openalex.org/F4320321966","display_name":"Universit\u00e0 degli Studi di Padova","ror":"https://ror.org/00240q980"},{"id":"https://openalex.org/F4320326512","display_name":"Landes Tirols","ror":null},{"id":"https://openalex.org/F4320326775","display_name":"Standortagentur Tirol","ror":"https://ror.org/0519vt613"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":52,"referenced_works":["https://openalex.org/W1548945415","https://openalex.org/W1965392948","https://openalex.org/W1967101571","https://openalex.org/W1969507173","https://openalex.org/W1976609463","https://openalex.org/W1979395573","https://openalex.org/W1982504159","https://openalex.org/W1983863979","https://openalex.org/W1985767786","https://openalex.org/W1986240377","https://openalex.org/W1988022890","https://openalex.org/W1989856356","https://openalex.org/W1995198868","https://openalex.org/W1996660089","https://openalex.org/W1997872815","https://openalex.org/W1999046928","https://openalex.org/W1999762006","https://openalex.org/W2007364705","https://openalex.org/W2014276094","https://openalex.org/W2027065525","https://openalex.org/W2028526843","https://openalex.org/W2039939949","https://openalex.org/W2041993464","https://openalex.org/W2045671967","https://openalex.org/W2050456292","https://openalex.org/W2054599183","https://openalex.org/W2056108015","https://openalex.org/W2060650434","https://openalex.org/W2066705481","https://openalex.org/W2071394685","https://openalex.org/W2077527914","https://openalex.org/W2078374001","https://openalex.org/W2078905614","https://openalex.org/W2089262533","https://openalex.org/W2090431249","https://openalex.org/W2096541451","https://openalex.org/W2101616756","https://openalex.org/W2104916446","https://openalex.org/W2107506448","https://openalex.org/W2120607673","https://openalex.org/W2121704353","https://openalex.org/W2126047677","https://openalex.org/W2132731488","https://openalex.org/W2144108475","https://openalex.org/W2150613905","https://openalex.org/W2151300053","https://openalex.org/W2161293492","https://openalex.org/W2162011385","https://openalex.org/W2208203352","https://openalex.org/W2247500043","https://openalex.org/W2396525915","https://openalex.org/W2949504121"],"related_works":["https://openalex.org/W2000397010","https://openalex.org/W2115078847","https://openalex.org/W2062768126","https://openalex.org/W2969563261","https://openalex.org/W2061401330","https://openalex.org/W2055137136","https://openalex.org/W3041915240","https://openalex.org/W2077097504","https://openalex.org/W2586171341","https://openalex.org/W2167386965"],"abstract_inverted_index":{"G-quadruplexes,":[0],"alternative":[1],"DNA":[2,90],"secondary":[3],"structures":[4],"present":[5],"in":[6,47,67,69,91,111,136,154,169],"telomeres,":[7],"emerge":[8],"as":[9,35,37],"promising":[10,177],"targets":[11],"for":[12,49,75,157],"the":[13,53,79,92,97,144,158],"treatment":[14],"of":[15,55,133,160],"cancer,":[16],"because":[17],"they":[18],"prevent":[19],"telomere":[20],"elongation":[21],"and":[22,32,45,52,66,108,176,182],"accordingly":[23],"cell":[24],"proliferation.":[25],"Within":[26],"this":[27],"study,":[28],"theoretically":[29,39],"validated":[30,40],"pharmacophore-":[31],"shape-based":[33],"models":[34],"well":[36],"a":[38,70],"docking":[41],"protocol":[42],"were":[43,73,106],"generated":[44],"applied":[46,168],"parallel":[48],"virtual":[50,82],"screening":[51],"identification":[54,159],"novel":[56,117,129,161,175],"G-quadruplex":[57,118,141,162,184],"ligands.":[58],"Top-ranked":[59],"hits":[60,83],"retrieved":[61],"with":[62,180],"all":[63],"methods":[64],"independently":[65],"addition":[68,137],"consensus":[71],"approach":[72],"selected":[74],"biological":[76],"testing.":[77],"Of":[78],"32":[80],"tested":[81],"seven":[84,115],"selectively":[85],"stabilized":[86],"G-quadruplexes":[87],"over":[88],"duplex":[89],"fluorescence":[93],"melting":[94],"assay.":[95],"For":[96],"five":[98],"most":[99],"active":[100],"compounds,":[101],"chemically":[102],"closely":[103],"related":[104],"analogues":[105],"collected":[107],"subjected":[109],"to":[110],"vitro":[112],"analysis.":[113],"Thereby,":[114],"further":[116],"ligands":[119],"could":[120],"be":[121,167],"identified.":[122],"These":[123],"molecules":[124],"do":[125],"not":[126],"only":[127],"represent":[128],"scaffolds,":[130],"but":[131],"some":[132],"them":[134],"are":[135,187],"even":[138],"more":[139],"potent":[140],"stabilizers":[142],"than":[143],"established":[145],"reference":[146],"compound":[147],"berberine.":[148],"This":[149],"study":[150],"proposes":[151],"an":[152],"optimized":[153],"silico":[155],"workflow":[156],"stabilizers,":[163],"which":[164],"can":[165],"also":[166],"future":[170],"studies.":[171],"In":[172],"addition,":[173],"structurally":[174],"lead":[178],"candidates":[179],"strong":[181],"selective":[183],"stabilizing":[185],"properties":[186],"reported.":[188]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":1},{"year":2021,"cited_by_count":6},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":2}],"updated_date":"2026-07-27T08:26:11.824852","created_date":"2025-10-10T00:00:00"}