{"id":"https://openalex.org/W7208409092","doi":null,"title":"High-Throughput Screening and Mechanistic Characterization of Enzyme Inhibitors as Tools for Rational Drug Discovery","display_name":"High-Throughput Screening and Mechanistic Characterization of Enzyme Inhibitors as Tools for Rational Drug Discovery","publication_year":2026,"publication_date":"2026-03-26","ids":{"openalex":"https://openalex.org/W7208409092"},"language":"en","primary_location":{"id":"pmh:oai:dal.scholaris.ca:10222/85982","doi":null,"is_oa":true,"landing_page_url":"https://hdl.handle.net/10222/85982","pdf_url":"https://dal.scholaris.ca/bitstreams/a98e1d72-c153-4328-933a-b27d9ed154a4/download","source":{"id":"https://openalex.org/S7407064432","display_name":"DalSpace (Dalhousie University)","issn_l":"2041-2096","issn":["2041-2096"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":["dongbi-a","poland-140","russia-white-list-1"],"host_organization":"https://openalex.org/I129902397","host_organization_name":"Dalhousie University","host_organization_lineage":["https://openalex.org/I129902397"],"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":null},"volume":null,"type":"article","is_traditional":true,"indexed_in":[],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://dal.scholaris.ca/bitstreams/a98e1d72-c153-4328-933a-b27d9ed154a4/download","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5013099375","display_name":"Bronwyn E. Rowland","orcid":"https://orcid.org/0009-0009-2022-6609","observed_orcids":["https://orcid.org/0009-0009-2022-6609"]},"institutions":[{"id":"https://openalex.org/I129902397","display_name":"Dalhousie University","ror":"https://ror.org/01e6qks80","country_code":"CA","type":"education","lineage":["https://openalex.org/I129902397"]}],"countries":["CA"],"is_corresponding":true,"raw_author_name":"Rowland, Bronwyn Elizabeth","raw_affiliation_strings":["Dalhousie University","Science at Dalhousie University Halifax , Nova Scotia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Dalhousie University","institution_ids":["https://openalex.org/I129902397"]},{"raw_affiliation_string":"Science at Dalhousie University Halifax , Nova Scotia","institution_ids":["https://openalex.org/I129902397"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5013099375"],"corresponding_institution_ids":["https://openalex.org/I129902397"],"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":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12412","display_name":"Enzyme function and inhibition","score":0.48969998955726624,"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/T12412","display_name":"Enzyme function and inhibition","score":0.48969998955726624,"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/T12827","display_name":"Biochemical and Molecular Research","score":0.31299999356269836,"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":0.041200000792741776,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/enzyme-inhibitors","display_name":"enzyme inhibitors","score":0.8169999718666077},{"id":"https://openalex.org/keywords/rational-drug-design","display_name":"rational drug design","score":0.8240000009536743},{"id":"https://openalex.org/keywords/glucose-6-phosphate-dehydrogenase","display_name":"glucose-6-phosphate dehydrogenase","score":0.9490000009536743},{"id":"https://openalex.org/keywords/aromatic-aldehydes","display_name":"aromatic aldehydes","score":0.843999981880188},{"id":"https://openalex.org/keywords/intramolecular-interactions","display_name":"intramolecular interactions","score":0.875},{"id":"https://openalex.org/keywords/non-covalent-inhibitors","display_name":"non-covalent inhibitors","score":0.6830000281333923},{"id":"https://openalex.org/keywords/binding-mechanism","display_name":"binding mechanism","score":0.5839999914169312},{"id":"https://openalex.org/keywords/bacterial-enzymes","display_name":"bacterial enzymes","score":0.43700000643730164},{"id":"https://openalex.org/keywords/cancer","display_name":"cancer","score":0.46299999952316284},{"id":"https://openalex.org/keywords/inflammation","display_name":"inflammation","score":0.9900000095367432}],"concepts":[{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.6552000045776367},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.6403999924659729},{"id":"https://openalex.org/C53105671","wikidata":"https://www.wikidata.org/wiki/Q14777816","display_name":"Rational design","level":2,"score":0.6103000044822693},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5849999785423279},{"id":"https://openalex.org/C2779715943","wikidata":"https://www.wikidata.org/wiki/Q427492","display_name":"Enzyme inhibition","level":3,"score":0.5637999773025513},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.5163999795913696},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.5103999972343445},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.48669999837875366},{"id":"https://openalex.org/C192071366","wikidata":"https://www.wikidata.org/wiki/Q2991682","display_name":"Drug design","level":2,"score":0.42750000953674316},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.3709999918937683},{"id":"https://openalex.org/C25747580","wikidata":"https://www.wikidata.org/wiki/Q423792","display_name":"Aldehyde dehydrogenase","level":3,"score":0.35830000042915344},{"id":"https://openalex.org/C64903051","wikidata":"https://www.wikidata.org/wiki/Q2198549","display_name":"Drug development","level":3,"score":0.35519999265670776},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.33329999446868896},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.3197000026702881},{"id":"https://openalex.org/C2776980637","wikidata":"https://www.wikidata.org/wiki/Q427492","display_name":"Enzyme inhibitor","level":3,"score":0.31869998574256897},{"id":"https://openalex.org/C161624437","wikidata":"https://www.wikidata.org/wiki/Q1988322","display_name":"Small molecule","level":2,"score":0.31369999051094055},{"id":"https://openalex.org/C193042331","wikidata":"https://www.wikidata.org/wiki/Q1772003","display_name":"Structure\u2013activity relationship","level":3,"score":0.31209999322891235},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.30480000376701355},{"id":"https://openalex.org/C125209161","wikidata":"https://www.wikidata.org/wiki/Q422816","display_name":"Enzyme activator","level":3,"score":0.2797999978065491},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.27950000762939453},{"id":"https://openalex.org/C28212737","wikidata":"https://www.wikidata.org/wiki/Q5381543","display_name":"Enzyme assay","level":3,"score":0.26589998602867126},{"id":"https://openalex.org/C85196483","wikidata":"https://www.wikidata.org/wiki/Q6545857","display_name":"Ligand binding assay","level":3,"score":0.2563000023365021},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.25589999556541443},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.25099998712539673}],"mesh":[],"locations_count":1,"locations":[{"id":"pmh:oai:dal.scholaris.ca:10222/85982","doi":null,"is_oa":true,"landing_page_url":"https://hdl.handle.net/10222/85982","pdf_url":"https://dal.scholaris.ca/bitstreams/a98e1d72-c153-4328-933a-b27d9ed154a4/download","source":{"id":"https://openalex.org/S7407064432","display_name":"DalSpace (Dalhousie University)","issn_l":"2041-2096","issn":["2041-2096"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":["dongbi-a","poland-140","russia-white-list-1"],"host_organization":"https://openalex.org/I129902397","host_organization_name":"Dalhousie University","host_organization_lineage":["https://openalex.org/I129902397"],"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":null}],"best_oa_location":{"id":"pmh:oai:dal.scholaris.ca:10222/85982","doi":null,"is_oa":true,"landing_page_url":"https://hdl.handle.net/10222/85982","pdf_url":"https://dal.scholaris.ca/bitstreams/a98e1d72-c153-4328-933a-b27d9ed154a4/download","source":{"id":"https://openalex.org/S7407064432","display_name":"DalSpace (Dalhousie University)","issn_l":"2041-2096","issn":["2041-2096"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":["dongbi-a","poland-140","russia-white-list-1"],"host_organization":"https://openalex.org/I129902397","host_organization_name":"Dalhousie University","host_organization_lineage":["https://openalex.org/I129902397"],"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":null},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7208409092.pdf","grobid_xml":"https://content.openalex.org/works/W7208409092.grobid-xml"},"referenced_works_count":242,"referenced_works":["https://openalex.org/W27750664","https://openalex.org/W189442419","https://openalex.org/W240814399","https://openalex.org/W1482481751","https://openalex.org/W1485660887","https://openalex.org/W1487878063","https://openalex.org/W1491999703","https://openalex.org/W1518468496","https://openalex.org/W1526377515","https://openalex.org/W1531332284","https://openalex.org/W1566647207","https://openalex.org/W1570017351","https://openalex.org/W1580209949","https://openalex.org/W1585711500","https://openalex.org/W1591923693","https://openalex.org/W1596437127","https://openalex.org/W1601085348","https://openalex.org/W1663154925","https://openalex.org/W1914076265","https://openalex.org/W1941669181","https://openalex.org/W1963826141","https://openalex.org/W1966952510","https://openalex.org/W1967386006","https://openalex.org/W1970419438","https://openalex.org/W1972607828","https://openalex.org/W1974224443","https://openalex.org/W1977076271","https://openalex.org/W1977471179","https://openalex.org/W1978801963","https://openalex.org/W1980149636","https://openalex.org/W1980990431","https://openalex.org/W1981363320","https://openalex.org/W1981877016","https://openalex.org/W1983023422","https://openalex.org/W1985225868","https://openalex.org/W1986170186","https://openalex.org/W1989355131","https://openalex.org/W1991001144","https://openalex.org/W1991635121","https://openalex.org/W1992232200","https://openalex.org/W1994593429","https://openalex.org/W1994868945","https://openalex.org/W2000425049","https://openalex.org/W2000620782","https://openalex.org/W2001333192","https://openalex.org/W2002627830","https://openalex.org/W2006693036","https://openalex.org/W2007342471","https://openalex.org/W2008033400","https://openalex.org/W2010337778","https://openalex.org/W2010922747","https://openalex.org/W2011527976","https://openalex.org/W2015091013","https://openalex.org/W2015935547","https://openalex.org/W2017653123","https://openalex.org/W2022988743","https://openalex.org/W2024523187","https://openalex.org/W2024678079","https://openalex.org/W2025249937","https://openalex.org/W2027290089","https://openalex.org/W2028742202","https://openalex.org/W2029672666","https://openalex.org/W2029978928","https://openalex.org/W2030023796","https://openalex.org/W2030230442","https://openalex.org/W2031441006","https://openalex.org/W2032331568","https://openalex.org/W2032694560","https://openalex.org/W2033588393","https://openalex.org/W2035190139","https://openalex.org/W2041957907","https://openalex.org/W2043886357","https://openalex.org/W2046306695","https://openalex.org/W2046385606","https://openalex.org/W2046588282","https://openalex.org/W2048072131","https://openalex.org/W2048322679","https://openalex.org/W2048916868","https://openalex.org/W2055608739","https://openalex.org/W2056336859","https://openalex.org/W2061349783","https://openalex.org/W2063929156","https://openalex.org/W2067043700","https://openalex.org/W2072300064","https://openalex.org/W2072591546","https://openalex.org/W2074213538","https://openalex.org/W2076462280","https://openalex.org/W2076952762","https://openalex.org/W2077535774","https://openalex.org/W2079054805","https://openalex.org/W2080421786","https://openalex.org/W2083473802","https://openalex.org/W2084845010","https://openalex.org/W2085857944","https://openalex.org/W2090043682","https://openalex.org/W2090338420","https://openalex.org/W2090711146","https://openalex.org/W2093217911","https://openalex.org/W2093299297","https://openalex.org/W2093762900","https://openalex.org/W2096921126","https://openalex.org/W2098865666","https://openalex.org/W2101837956","https://openalex.org/W2104763836","https://openalex.org/W2107841008","https://openalex.org/W2110094991","https://openalex.org/W2111109297","https://openalex.org/W2111890864","https://openalex.org/W2112644354","https://openalex.org/W2114228942","https://openalex.org/W2115546158","https://openalex.org/W2117753087","https://openalex.org/W2118826311","https://openalex.org/W2120894192","https://openalex.org/W2123409005","https://openalex.org/W2125162757","https://openalex.org/W2129534182","https://openalex.org/W2130927802","https://openalex.org/W2131891756","https://openalex.org/W2132925790","https://openalex.org/W2137597277","https://openalex.org/W2138851777","https://openalex.org/W2152917871","https://openalex.org/W2153477329","https://openalex.org/W2153977062","https://openalex.org/W2155555199","https://openalex.org/W2164168509","https://openalex.org/W2165732545","https://openalex.org/W2165776450","https://openalex.org/W2167029953","https://openalex.org/W2168217578","https://openalex.org/W2214762912","https://openalex.org/W2299259157","https://openalex.org/W2315390789","https://openalex.org/W2322836762","https://openalex.org/W2326526703","https://openalex.org/W2397507474","https://openalex.org/W2413655169","https://openalex.org/W2517282085","https://openalex.org/W2547161386","https://openalex.org/W2572596693","https://openalex.org/W2580609256","https://openalex.org/W2606604357","https://openalex.org/W2620819234","https://openalex.org/W2622009965","https://openalex.org/W2629805449","https://openalex.org/W2742118221","https://openalex.org/W2752520345","https://openalex.org/W2765932178","https://openalex.org/W2766187115","https://openalex.org/W2793298604","https://openalex.org/W2882991765","https://openalex.org/W2887319145","https://openalex.org/W2899764069","https://openalex.org/W2908359147","https://openalex.org/W2908518636","https://openalex.org/W2909718820","https://openalex.org/W2910570560","https://openalex.org/W2912432249","https://openalex.org/W2936704121","https://openalex.org/W2952527294","https://openalex.org/W2953238007","https://openalex.org/W2964314261","https://openalex.org/W2982066846","https://openalex.org/W2983869840","https://openalex.org/W2997678703","https://openalex.org/W3004241638","https://openalex.org/W3031891106","https://openalex.org/W3037781723","https://openalex.org/W3095109277","https://openalex.org/W3127720184","https://openalex.org/W3128963846","https://openalex.org/W3130357905","https://openalex.org/W3131194269","https://openalex.org/W3149784397","https://openalex.org/W3168181021","https://openalex.org/W3186832893","https://openalex.org/W3190858458","https://openalex.org/W3198758357","https://openalex.org/W3206613699","https://openalex.org/W3210935050","https://openalex.org/W4206651141","https://openalex.org/W4213250811","https://openalex.org/W4214844341","https://openalex.org/W4224290510","https://openalex.org/W4226237865","https://openalex.org/W4255215605","https://openalex.org/W4280517578","https://openalex.org/W4281670905","https://openalex.org/W4283395020","https://openalex.org/W4285180985","https://openalex.org/W4285185208","https://openalex.org/W4286001362","https://openalex.org/W4293084539","https://openalex.org/W4295904283","https://openalex.org/W4306923105","https://openalex.org/W4308866011","https://openalex.org/W4312128809","https://openalex.org/W4313259721","https://openalex.org/W4315702420","https://openalex.org/W4319875122","https://openalex.org/W4320167831","https://openalex.org/W4323926397","https://openalex.org/W4324017390","https://openalex.org/W4367312050","https://openalex.org/W4367394089","https://openalex.org/W4379600532","https://openalex.org/W4386077911","https://openalex.org/W4386502651","https://openalex.org/W4387242018","https://openalex.org/W4387613681","https://openalex.org/W4388464011","https://openalex.org/W4388869531","https://openalex.org/W4391104899","https://openalex.org/W4392508229","https://openalex.org/W4392740526","https://openalex.org/W4393857115","https://openalex.org/W4394789731","https://openalex.org/W4396592026","https://openalex.org/W4396606044","https://openalex.org/W4396704910","https://openalex.org/W4399323235","https://openalex.org/W4399547669","https://openalex.org/W4400389945","https://openalex.org/W4402402347","https://openalex.org/W4402465580","https://openalex.org/W4402633976","https://openalex.org/W4402758736","https://openalex.org/W4403973859","https://openalex.org/W4407055746","https://openalex.org/W4408132222","https://openalex.org/W4408403083","https://openalex.org/W4408670021","https://openalex.org/W4408816638","https://openalex.org/W4409150163","https://openalex.org/W4412768541","https://openalex.org/W4414167237","https://openalex.org/W4414984218","https://openalex.org/W4416192893","https://openalex.org/W4416401124","https://openalex.org/W7119533231","https://openalex.org/W7128686931"],"related_works":["https://openalex.org/W7155514102","https://openalex.org/W7160897483","https://openalex.org/W7206307483","https://openalex.org/W4207073058","https://openalex.org/W2564959187","https://openalex.org/W2125687063","https://openalex.org/W7124336785","https://openalex.org/W4247068924","https://openalex.org/W2059846948","https://openalex.org/W2986170998"],"abstract_inverted_index":{"Rational":[0],"design":[1,146],"of":[2,8,23,35,69,90],"enzyme":[3,17,62],"inhibitors":[4,36,125],"is":[5,13,102],"a":[6,39,56,80],"cornerstone":[7],"drug":[9,145],"discovery.":[10],"However,":[11],"progress":[12],"limited":[14],"by":[15,104,108],"inefficient":[16],"activity":[18],"assays":[19],"and":[20,43,50,67,122,139],"unclear":[21],"determinants":[22],"enzyme-inhibitor":[24],"interactions.":[25],"In":[26],"this":[27,73,133],"thesis,":[28],"I":[29,54,75,86,97],"developed":[30,55],"tools":[31],"for":[32],"the":[33,65,129],"development":[34],"targeting":[37],"Cps2L,":[38,53],"pathogenic":[40],"bacterial":[41],"thymidylyltransferase,":[42],"glucose-6-phosphate":[44],"dehydrogenase":[45],"(G6PD),":[46],"linked":[47],"to":[48],"cancer":[49],"inflammation.":[51],"For":[52,84],"NADPH-coupled":[57],"assay":[58,137],"that":[59,99],"monitors":[60],"real-time":[61],"activity,":[63],"improving":[64],"precision":[66],"efficiency":[68],"existing":[70],"methods.":[71],"Using":[72],"platform,":[74],"characterized":[76],"thymidine":[77],"diphosphate-L-rhamnose":[78],"as":[79,94],"non-covalent":[81],"Cps2L":[82],"inhibitor.":[83],"G6PD,":[85],"evaluated":[87],"structure-reactivity-activity":[88],"relationships":[89],"ortho-substituted":[91],"aryl":[92],"aldehydes":[93],"imine-forming":[95],"inhibitors.":[96],"showed":[98],"aldehyde":[100,130],"reactivity":[101],"controlled":[103],"intramolecular":[105],"interactions":[106],"formed":[107],"ortho-substituents.":[109],"Reactivity":[110],"trends":[111],"correlated":[112],"with":[113],"inhibition":[114],"potency,":[115],"but":[116],"not":[117],"reversibility.":[118],"Diverse":[119],"binding":[120],"mechanisms":[121],"novel":[123],"G6PD":[124],"were":[126],"identified":[127],"within":[128],"panel.":[131],"Together,":[132],"work":[134],"demonstrates":[135],"how":[136],"innovation":[138],"electrophile-focused":[140],"inhibitor":[141],"profiling":[142],"advances":[143],"rational":[144],"across":[147],"diverse":[148],"targets.":[149]},"counts_by_year":[],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2026-09-04T00:00:00"}