{"id":"https://openalex.org/W3133955283","doi":"https://doi.org/10.1002/cbic.202100051","title":"Can Precision Electrophile Signaling Make a Meaningful and Lasting Impression in Drug Design?","display_name":"Can Precision Electrophile Signaling Make a Meaningful and Lasting Impression in Drug Design?","publication_year":2021,"publication_date":"2021-04-07","ids":{"openalex":"https://openalex.org/W3133955283","doi":"https://doi.org/10.1002/cbic.202100051","mag":"3133955283","pmid":"https://pubmed.ncbi.nlm.nih.gov/33826211"},"language":"en","primary_location":{"id":"doi:10.1002/cbic.202100051","doi":"https://doi.org/10.1002/cbic.202100051","is_oa":false,"landing_page_url":"https://doi.org/10.1002/cbic.202100051","pdf_url":null,"source":{"id":"https://openalex.org/S154285657","display_name":"ChemBioChem","issn_l":"1439-4227","issn":["1439-4227","1439-7633"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ChemBioChem","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://www.preprints.org/manuscript/202103.0138/v1/download","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5060276866","display_name":"Marcus J. C. Long","orcid":"https://orcid.org/0000-0002-0343-9671","observed_orcids":["https://orcid.org/0000-0002-0343-9671"]},"institutions":[{"id":"https://openalex.org/I97565354","display_name":"University of Lausanne","ror":"https://ror.org/019whta54","country_code":"CH","type":"education","lineage":["https://openalex.org/I97565354"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Marcus J. C. Long","raw_affiliation_strings":["University of Lausanne, Department of Biochemistry, Chemin des boveresses 155, Epalinges, 1066 Lausanne, Switzerland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Lausanne, Department of Biochemistry, Chemin des boveresses 155, Epalinges, 1066 Lausanne, Switzerland","institution_ids":["https://openalex.org/I97565354"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102961178","display_name":"Amogh Kulkarni","orcid":"https://orcid.org/0000-0001-7824-7634","observed_orcids":["https://orcid.org/0000-0001-7824-7634"]},"institutions":[{"id":"https://openalex.org/I5124864","display_name":"\u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne","ror":"https://ror.org/02s376052","country_code":"CH","type":"education","lineage":["https://openalex.org/I2799323385","https://openalex.org/I5124864"]}],"countries":["CH"],"is_corresponding":false,"raw_author_name":"Amogh Kulkarni","raw_affiliation_strings":["Swiss Federal Institute of Technology in Lausanne (EPFL), 1015 Lausanne, Switzerland"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Swiss Federal Institute of Technology in Lausanne (EPFL), 1015 Lausanne, Switzerland","institution_ids":["https://openalex.org/I5124864"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5012739930","display_name":"Yimon Aye","orcid":"https://orcid.org/0000-0002-1256-4159","observed_orcids":["https://orcid.org/0000-0002-1256-4159"]},"institutions":[{"id":"https://openalex.org/I5124864","display_name":"\u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne","ror":"https://ror.org/02s376052","country_code":"CH","type":"education","lineage":["https://openalex.org/I2799323385","https://openalex.org/I5124864"]}],"countries":["CH"],"is_corresponding":true,"raw_author_name":"Yimon Aye","raw_affiliation_strings":["Swiss Federal Institute of Technology in Lausanne (EPFL), 1015 Lausanne, Switzerland"],"raw_orcid":"https://orcid.org/0000-0002-1256-4159","affiliations":[{"raw_affiliation_string":"Swiss Federal Institute of Technology in Lausanne (EPFL), 1015 Lausanne, Switzerland","institution_ids":["https://openalex.org/I5124864"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5012739930"],"corresponding_institution_ids":["https://openalex.org/I5124864"],"apc_list":{"value":3800,"currency":"USD","value_usd":3800},"apc_paid":null,"fwci":0.3939,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.56108842,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"23","issue":"7","first_page":"e202100051","last_page":"e202100051"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.3041999936103821,"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"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.3041999936103821,"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"}},{"id":"https://openalex.org/T11440","display_name":"Click Chemistry and Applications","score":0.10189999639987946,"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/T11332","display_name":"Genomics, phytochemicals, and oxidative stress","score":0.05889999866485596,"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/protein-ligand-binding","display_name":"protein-ligand binding","score":0.4359999895095825},{"id":"https://openalex.org/keywords/drug-residence-time","display_name":"drug residence time","score":0.6800000071525574},{"id":"https://openalex.org/keywords/signaling-pathways","display_name":"signaling pathways","score":0.6980000138282776},{"id":"https://openalex.org/keywords/enzyme-inhibition-kinetics","display_name":"enzyme inhibition kinetics","score":0.8999999761581421},{"id":"https://openalex.org/keywords/reactive-electrophiles","display_name":"reactive electrophiles","score":0.4480000138282776}],"concepts":[{"id":"https://openalex.org/C50027330","wikidata":"https://www.wikidata.org/wiki/Q908086","display_name":"Electrophile","level":3,"score":0.9136167764663696},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.5853854417800903},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.44343894720077515},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.44243982434272766},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.4208824634552002},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.28087541460990906},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2579369843006134},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2545560598373413},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D007700","descriptor_name":"Kinetics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015398","descriptor_name":"Signal Transduction","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":6,"locations":[{"id":"doi:10.1002/cbic.202100051","doi":"https://doi.org/10.1002/cbic.202100051","is_oa":false,"landing_page_url":"https://doi.org/10.1002/cbic.202100051","pdf_url":null,"source":{"id":"https://openalex.org/S154285657","display_name":"ChemBioChem","issn_l":"1439-4227","issn":["1439-4227","1439-7633"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","doyens","jufo-1","ki-jl-1","medline","norway-1","poland-70","russia-white-list-2","vabb-shw"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"ChemBioChem","raw_type":"journal-article"},{"id":"doi:10.20944/preprints202103.0138.v1","doi":"https://doi.org/10.20944/preprints202103.0138.v1","is_oa":true,"landing_page_url":"https://doi.org/10.20944/preprints202103.0138.v1","pdf_url":"https://www.preprints.org/manuscript/202103.0138/v1/download","source":{"id":"https://openalex.org/S6309402219","display_name":"Preprints.org","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},{"id":"pmid:33826211","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/33826211","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,"listed_in":[],"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":"Chembiochem : a European journal of chemical biology","raw_type":"Journal Article"},{"id":"pmh:oai:infoscience.epfl.ch:285514","doi":null,"is_oa":true,"landing_page_url":"https://infoscience.epfl.ch/handle/20.500.14299/177893","pdf_url":null,"source":{"id":"https://openalex.org/S4306400487","display_name":"Infoscience (Ecole Polytechnique F\u00e9d\u00e9rale de Lausanne)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I5124864","host_organization_name":"\u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne","host_organization_lineage":["https://openalex.org/I5124864"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"WoS","raw_type":"research article"},{"id":"pmh:oai:iris.unil.ch:iris/83748","doi":null,"is_oa":false,"landing_page_url":"https://iris.unil.ch/handle/iris/83748","pdf_url":null,"source":{"id":"https://openalex.org/S7407055444","display_name":"IRIS","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":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"editorial"},{"id":"pmh:oai:serval.unil.ch:BIB_2F8FF3DF77CA","doi":null,"is_oa":false,"landing_page_url":"https://serval.unil.ch/notice/serval:BIB_2F8FF3DF77CA","pdf_url":null,"source":{"id":"https://openalex.org/S4306401797","display_name":"SERVAL (Universit\u00e9 de Lausanne)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4210093590","host_organization_name":"Swiss School of Archaeology in Greece","host_organization_lineage":["https://openalex.org/I4210093590"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Chembiochem, vol. 23, no. 7, pp. e202100051","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"doi:10.20944/preprints202103.0138.v1","doi":"https://doi.org/10.20944/preprints202103.0138.v1","is_oa":true,"landing_page_url":"https://doi.org/10.20944/preprints202103.0138.v1","pdf_url":"https://www.preprints.org/manuscript/202103.0138/v1/download","source":{"id":"https://openalex.org/S6309402219","display_name":"Preprints.org","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.4043000042438507,"display_name":"Good health and well-being"}],"study_designs":[],"awards":[{"id":"https://openalex.org/G5823208939","display_name":"Deconstructing precision signaling crosstalk regulated by native reactive electrophiles","funder_award_id":"184729","funder_id":"https://openalex.org/F4320320924","funder_display_name":"Schweizerischer Nationalfonds zur F\u00f6rderung der Wissenschaftlichen Forschung"}],"funders":[{"id":"https://openalex.org/F4320320915","display_name":"\u00c9cole Polytechnique F\u00e9d\u00e9rale de Lausanne","ror":"https://ror.org/02s376052"},{"id":"https://openalex.org/F4320320924","display_name":"Schweizerischer Nationalfonds zur F\u00f6rderung der Wissenschaftlichen Forschung","ror":"https://ror.org/00yjd3n13"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3133955283.pdf","grobid_xml":"https://content.openalex.org/works/W3133955283.grobid-xml"},"referenced_works_count":47,"referenced_works":["https://openalex.org/W1532153797","https://openalex.org/W1547083521","https://openalex.org/W1982168868","https://openalex.org/W1991557988","https://openalex.org/W1997745709","https://openalex.org/W2001462701","https://openalex.org/W2014341245","https://openalex.org/W2018339027","https://openalex.org/W2025433424","https://openalex.org/W2027114592","https://openalex.org/W2057522312","https://openalex.org/W2075303826","https://openalex.org/W2099395323","https://openalex.org/W2111385909","https://openalex.org/W2126593560","https://openalex.org/W2135647640","https://openalex.org/W2145932487","https://openalex.org/W2166875189","https://openalex.org/W2171452578","https://openalex.org/W2187318534","https://openalex.org/W2288124948","https://openalex.org/W2302518824","https://openalex.org/W2329648702","https://openalex.org/W2415974759","https://openalex.org/W2507380597","https://openalex.org/W2580313904","https://openalex.org/W2580620104","https://openalex.org/W2705421977","https://openalex.org/W2753355630","https://openalex.org/W2787318526","https://openalex.org/W2789560325","https://openalex.org/W2889257276","https://openalex.org/W2897640620","https://openalex.org/W2955973158","https://openalex.org/W2978738711","https://openalex.org/W2982116122","https://openalex.org/W2982321167","https://openalex.org/W3005184654","https://openalex.org/W3014882016","https://openalex.org/W3026797206","https://openalex.org/W3104337855","https://openalex.org/W3109256473","https://openalex.org/W3109861216","https://openalex.org/W3133955283","https://openalex.org/W3139373310","https://openalex.org/W6601495505","https://openalex.org/W6601657081"],"related_works":["https://openalex.org/W2897640620","https://openalex.org/W2946436049","https://openalex.org/W3157420785","https://openalex.org/W2131241278","https://openalex.org/W7220418590","https://openalex.org/W3109256473","https://openalex.org/W3157330504","https://openalex.org/W4372295365","https://openalex.org/W4285157726","https://openalex.org/W1975151451"],"abstract_inverted_index":{"For":[0],"several":[1],"years,":[2],"drugs":[3,20],"with":[4,65],"reactive":[5,60],"electrophilic":[6,41],"appendages":[7],"have":[8,43,97],"been":[9],"developed.":[10],"These":[11,79],"units":[12],"typically":[13],"confer":[14],"prolonged":[15],"residence":[16],"time":[17],"of":[18],"the":[19,34],"on":[21,39],"their":[22],"protein":[23],"targets,":[24],"and":[25,88],"may":[26],"assist":[27],"targeting":[28],"shallow":[29],"binding":[30],"sites":[31],"and/or":[32],"improving":[33],"drug-protein":[35],"target":[36],"spectrum.":[37],"Studies":[38],"natural":[40,49,59],"molecules":[42],"indicated":[44],"that,":[45],"in":[46,76,103],"many":[47],"instances,":[48],"electrophiles":[50],"use":[51],"similar":[52],"mechanisms":[53,68],"to":[54,69,82,99],"alter":[55],"signaling":[56,71],"pathways.":[57],"However,":[58],"species":[61],"are":[62,74],"also":[63],"endowed":[64],"other":[66],"important":[67],"hone":[70],"properties":[72,102],"that":[73],"uncommon":[75],"drug":[77],"design.":[78,105],"include":[80],"ability":[81],"be":[83],"active":[84],"at":[85],"low":[86],"occupancy":[87],"elevated":[89],"inhibitor":[90,104],"kinetics.":[91],"Herein,":[92],"we":[93,96],"discuss":[94],"how":[95],"begun":[98],"harness":[100],"these":[101]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2021,"cited_by_count":2}],"updated_date":"2026-10-31T12:09:11.096373","created_date":"2021-03-15T00:00:00"}
