{"id":"https://openalex.org/W2086141155","doi":"https://doi.org/10.1021/ci9003128","title":"Conformational Analyses and MO Studies of f152A1 and Its Analogues as Potent Protein Kinase Inhibitors","display_name":"Conformational Analyses and MO Studies of f152A1 and Its Analogues as Potent Protein Kinase Inhibitors","publication_year":2009,"publication_date":"2009-12-09","ids":{"openalex":"https://openalex.org/W2086141155","doi":"https://doi.org/10.1021/ci9003128","mag":"2086141155","pmid":"https://pubmed.ncbi.nlm.nih.gov/19995092"},"language":"en","primary_location":{"id":"doi:10.1021/ci9003128","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci9003128","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/A5109198921","display_name":"Megumi Ikemori\u2010Kawada","orcid":null},"institutions":[{"id":"https://openalex.org/I55881946","display_name":"Eisai (Japan)","ror":"https://ror.org/04vvh7p27","country_code":"JP","type":"company","lineage":["https://openalex.org/I55881946"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Megumi Ikemori-Kawada","raw_affiliation_strings":["Eisai Tsukuba Research Laboratories, 1-3, Tokodai 5-chome, Tsukuba-shi, Ibaraki 300-2635, Japan, and Eisai Research Institute of Boston, 4 Corporate Drive, Andover, Massachusetts 01810"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Eisai Tsukuba Research Laboratories, 1-3, Tokodai 5-chome, Tsukuba-shi, Ibaraki 300-2635, Japan, and Eisai Research Institute of Boston, 4 Corporate Drive, Andover, Massachusetts 01810","institution_ids":["https://openalex.org/I55881946"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090333154","display_name":"Takatoshi Kawai","orcid":null},"institutions":[{"id":"https://openalex.org/I55881946","display_name":"Eisai (Japan)","ror":"https://ror.org/04vvh7p27","country_code":"JP","type":"company","lineage":["https://openalex.org/I55881946"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Takatoshi Kawai","raw_affiliation_strings":["Eisai Tsukuba Research Laboratories, 1-3, Tokodai 5-chome, Tsukuba-shi, Ibaraki 300-2635, Japan, and Eisai Research Institute of Boston, 4 Corporate Drive, Andover, Massachusetts 01810"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Eisai Tsukuba Research Laboratories, 1-3, Tokodai 5-chome, Tsukuba-shi, Ibaraki 300-2635, Japan, and Eisai Research Institute of Boston, 4 Corporate Drive, Andover, Massachusetts 01810","institution_ids":["https://openalex.org/I55881946"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108496577","display_name":"Masaki Goto","orcid":null},"institutions":[{"id":"https://openalex.org/I55881946","display_name":"Eisai (Japan)","ror":"https://ror.org/04vvh7p27","country_code":"JP","type":"company","lineage":["https://openalex.org/I55881946"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Masaki Goto","raw_affiliation_strings":["Eisai Tsukuba Research Laboratories, 1-3, Tokodai 5-chome, Tsukuba-shi, Ibaraki 300-2635, Japan, and Eisai Research Institute of Boston, 4 Corporate Drive, Andover, Massachusetts 01810"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Eisai Tsukuba Research Laboratories, 1-3, Tokodai 5-chome, Tsukuba-shi, Ibaraki 300-2635, Japan, and Eisai Research Institute of Boston, 4 Corporate Drive, Andover, Massachusetts 01810","institution_ids":["https://openalex.org/I55881946"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5021090353","display_name":"Yuan John Wang","orcid":null},"institutions":[{"id":"https://openalex.org/I55881946","display_name":"Eisai (Japan)","ror":"https://ror.org/04vvh7p27","country_code":"JP","type":"company","lineage":["https://openalex.org/I55881946"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Yuan John Wang","raw_affiliation_strings":["Eisai Tsukuba Research Laboratories, 1-3, Tokodai 5-chome, Tsukuba-shi, Ibaraki 300-2635, Japan, and Eisai Research Institute of Boston, 4 Corporate Drive, Andover, Massachusetts 01810"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Eisai Tsukuba Research Laboratories, 1-3, Tokodai 5-chome, Tsukuba-shi, Ibaraki 300-2635, Japan, and Eisai Research Institute of Boston, 4 Corporate Drive, Andover, Massachusetts 01810","institution_ids":["https://openalex.org/I55881946"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5103402784","display_name":"Yoshiyuki Kawakami","orcid":null},"institutions":[{"id":"https://openalex.org/I55881946","display_name":"Eisai (Japan)","ror":"https://ror.org/04vvh7p27","country_code":"JP","type":"company","lineage":["https://openalex.org/I55881946"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Yoshiyuki Kawakami","raw_affiliation_strings":["Eisai Tsukuba Research Laboratories, 1-3, Tokodai 5-chome, Tsukuba-shi, Ibaraki 300-2635, Japan, and Eisai Research Institute of Boston, 4 Corporate Drive, Andover, Massachusetts 01810"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Eisai Tsukuba Research Laboratories, 1-3, Tokodai 5-chome, Tsukuba-shi, Ibaraki 300-2635, Japan, and Eisai Research Institute of Boston, 4 Corporate Drive, Andover, Massachusetts 01810","institution_ids":["https://openalex.org/I55881946"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5103402784"],"corresponding_institution_ids":["https://openalex.org/I55881946"],"apc_list":null,"apc_paid":null,"fwci":0.8217,"has_fulltext":false,"cited_by_count":11,"citation_normalized_percentile":{"value":0.72457724,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"49","issue":"12","first_page":"2650","last_page":"2659"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11533","display_name":"Melanoma and MAPK Pathways","score":0.9959999918937683,"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/T11533","display_name":"Melanoma and MAPK Pathways","score":0.9959999918937683,"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/T10274","display_name":"Synthesis and biological activity","score":0.9944000244140625,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9940999746322632,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/moiety","display_name":"Moiety","score":0.891068696975708},{"id":"https://openalex.org/keywords/enone","display_name":"Enone","score":0.804568350315094},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.7273567318916321},{"id":"https://openalex.org/keywords/stereochemistry","display_name":"Stereochemistry","score":0.6701714396476746},{"id":"https://openalex.org/keywords/kinase","display_name":"Kinase","score":0.6491239070892334},{"id":"https://openalex.org/keywords/molecular-model","display_name":"Molecular model","score":0.5015790462493896},{"id":"https://openalex.org/keywords/structure\u2013activity-relationship","display_name":"Structure\u2013activity relationship","score":0.4673156142234802},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.46437257528305054},{"id":"https://openalex.org/keywords/ketone","display_name":"Ketone","score":0.4245983958244324},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.4043121933937073},{"id":"https://openalex.org/keywords/in-vitro","display_name":"In vitro","score":0.3781276047229767},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.0867229700088501}],"concepts":[{"id":"https://openalex.org/C2776568683","wikidata":"https://www.wikidata.org/wiki/Q23005640","display_name":"Moiety","level":2,"score":0.891068696975708},{"id":"https://openalex.org/C2779746879","wikidata":"https://www.wikidata.org/wiki/Q3010548","display_name":"Enone","level":2,"score":0.804568350315094},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7273567318916321},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.6701714396476746},{"id":"https://openalex.org/C184235292","wikidata":"https://www.wikidata.org/wiki/Q421851","display_name":"Kinase","level":2,"score":0.6491239070892334},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.5015790462493896},{"id":"https://openalex.org/C193042331","wikidata":"https://www.wikidata.org/wiki/Q1772003","display_name":"Structure\u2013activity relationship","level":3,"score":0.4673156142234802},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.46437257528305054},{"id":"https://openalex.org/C2777738585","wikidata":"https://www.wikidata.org/wiki/Q170744","display_name":"Ketone","level":2,"score":0.4245983958244324},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.4043121933937073},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.3781276047229767},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0867229700088501}],"mesh":[{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","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":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006878","descriptor_name":"Hydroxides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006878","descriptor_name":"Hydroxides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D006878","descriptor_name":"Hydroxides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D007783","descriptor_name":"Lactones","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D007783","descriptor_name":"Lactones","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D007783","descriptor_name":"Lactones","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D007783","descriptor_name":"Lactones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D007783","descriptor_name":"Lactones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D007783","descriptor_name":"Lactones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008968","descriptor_name":"Molecular Conformation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013237","descriptor_name":"Stereoisomerism","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013237","descriptor_name":"Stereoisomerism","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013237","descriptor_name":"Stereoisomerism","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013696","descriptor_name":"Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013696","descriptor_name":"Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013696","descriptor_name":"Temperature","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019950","descriptor_name":"Mitogen-Activated Protein Kinase 1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D019950","descriptor_name":"Mitogen-Activated Protein Kinase 1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D019950","descriptor_name":"Mitogen-Activated Protein Kinase 1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D019950","descriptor_name":"Mitogen-Activated Protein Kinase 1","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D019950","descriptor_name":"Mitogen-Activated Protein Kinase 1","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D019950","descriptor_name":"Mitogen-Activated Protein Kinase 1","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000031","qualifier_name":"analogs & derivatives","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D047428","descriptor_name":"Protein Kinase Inhibitors","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D048369","descriptor_name":"MAP Kinase Kinase 1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D048369","descriptor_name":"MAP Kinase Kinase 1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D048369","descriptor_name":"MAP Kinase Kinase 1","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D048369","descriptor_name":"MAP Kinase Kinase 1","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D048369","descriptor_name":"MAP Kinase Kinase 1","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D048369","descriptor_name":"MAP Kinase Kinase 1","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","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":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci9003128","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci9003128","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:19995092","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/19995092","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":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":15,"referenced_works":["https://openalex.org/W995739795","https://openalex.org/W1563080566","https://openalex.org/W1971572370","https://openalex.org/W1979046104","https://openalex.org/W1994219871","https://openalex.org/W2011805684","https://openalex.org/W2023857791","https://openalex.org/W2026574826","https://openalex.org/W2060779189","https://openalex.org/W2071499259","https://openalex.org/W2083526450","https://openalex.org/W2087047683","https://openalex.org/W2093239060","https://openalex.org/W2302005959","https://openalex.org/W2949616108"],"related_works":["https://openalex.org/W2076485098","https://openalex.org/W2173413096","https://openalex.org/W2046594262","https://openalex.org/W1982111731","https://openalex.org/W2144705309","https://openalex.org/W2591942296","https://openalex.org/W2086141155","https://openalex.org/W2128093567","https://openalex.org/W1804425206","https://openalex.org/W2345975044"],"abstract_inverted_index":{"f152A1":[0,22,45,111],"was":[1,88],"isolated":[2],"from":[3],"a":[4,13,73,94,104],"fermentation":[5],"broth":[6],"of":[7,16,75,107,119,133,138,180,184,199],"Curvularia":[8],"verruculosa":[9],"and":[10,23,34,46,66,80,112,169,188],"characterized":[11],"as":[12],"potent":[14,115],"inhibitor":[15],"TNFalpha":[17],"transcription,":[18],"with":[19,173],"anti-inflammatory":[20],"activity.":[21,61],"several":[24],"analogues":[25,47,144],"displayed":[26],"inhibitory":[27,60,197],"activity":[28,198],"against":[29],"the":[30,70,120,126,135,139,165,177,185,189,196],"MAP":[31,181,200],"kinases":[32],"ERK2":[33],"MEK1":[35],"in":[36,37,69,90,125,142,176],"vitro":[38],"kinase":[39],"assays.":[40],"Through":[41],"SAR":[42],"studies":[43,87,91],"on":[44],"prepared":[48],"via":[49],"total":[50],"synthesis,":[51],"we":[52],"have":[53],"identified":[54],"structural":[55],"features":[56],"that":[57,92,156],"contribute":[58],"to":[59,67,161,195],"To":[62],"rationalize":[63],"these":[64,157],"results":[65],"aid":[68],"discovery":[71],"process,":[72],"combination":[74],"high":[76,105],"temperature":[77],"molecular":[78,84,148],"dynamics":[79],"MOPAC":[81],"AM1":[82],"semiempirical":[83],"orbital":[85,149],"method":[86],"used":[89],"yielded":[93],"postulated":[95],"active":[96,100],"conformation,":[97],"M1(8).":[98],"This":[99],"conformation":[101,191],"M1(8)":[102,190],"reflects":[103],"degree":[106],"conformational":[108],"similarity":[109],"among":[110],"its":[113],"more":[114],"analogues.":[116],"In":[117],"view":[118],"highly":[121],"reactive":[122],"cis-enone":[123,186],"moiety":[124,168,187],"flexible":[127],"14-membered":[128],"resorcylic":[129],"acid":[130],"lactone":[131],"ring":[132],"f152A1,":[134],"chemical":[136],"reactivities":[137],"enone":[140,152],"moieties":[141],"various":[143],"were":[145,159],"assessed":[146],"by":[147],"calculations.":[150],"The":[151],"reactivity":[153],"analyses":[154],"suggested":[155],"inhibitors":[158],"prone":[160],"Michael":[162],"addition":[163],"at":[164],"alpha,beta-unsaturated":[166],"ketone":[167],"might":[170],"chemically":[171],"react":[172],"cysteine":[174],"residues":[175],"ATP-binding":[178],"site":[179],"kinases.":[182,201],"Reactivity":[183],"make":[192],"important":[193],"contributions":[194]},"counts_by_year":[{"year":2021,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-06-17T06:14:20.161405","created_date":"2025-10-10T00:00:00"}