{"id":"https://openalex.org/W4225668167","doi":"https://doi.org/10.1371/journal.pcbi.1009855","title":"Chiral evasion and stereospecific antifolate resistance in Staphylococcus aureus","display_name":"Chiral evasion and stereospecific antifolate resistance in Staphylococcus aureus","publication_year":2022,"publication_date":"2022-02-10","ids":{"openalex":"https://openalex.org/W4225668167","doi":"https://doi.org/10.1371/journal.pcbi.1009855","pmid":"https://pubmed.ncbi.nlm.nih.gov/35143481"},"language":"en","primary_location":{"id":"doi:10.1371/journal.pcbi.1009855","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1009855","pdf_url":null,"source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLOS Computational Biology","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1371/journal.pcbi.1009855","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5100358928","display_name":"Siyu Wang","orcid":"https://orcid.org/0009-0001-5752-592X"},"institutions":[{"id":"https://openalex.org/I170897317","display_name":"Duke University","ror":"https://ror.org/00py81415","country_code":"US","type":"education","lineage":["https://openalex.org/I170897317"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Siyu Wang","raw_affiliation_strings":["Department of Computer Science, Duke University, Durham, North Carolina, United States of America","Program in Computational Biology and Bioinformatics, Duke University, Durham, North Carolina, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computer Science, Duke University, Durham, North Carolina, United States of America","institution_ids":["https://openalex.org/I170897317"]},{"raw_affiliation_string":"Program in Computational Biology and Bioinformatics, Duke University, Durham, North Carolina, United States of America","institution_ids":["https://openalex.org/I170897317"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5043334368","display_name":"Stephanie M. Reeve","orcid":"https://orcid.org/0000-0003-2064-405X"},"institutions":[{"id":"https://openalex.org/I140172145","display_name":"University of Connecticut","ror":"https://ror.org/02der9h97","country_code":"US","type":"education","lineage":["https://openalex.org/I140172145"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Stephanie M. Reeve","raw_affiliation_strings":["Department of Pharmaceutical Sciences, University of Connecticut, Storrs, Connecticut, United States of America"],"raw_orcid":"https://orcid.org/0000-0003-2064-405X","affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, University of Connecticut, Storrs, Connecticut, United States of America","institution_ids":["https://openalex.org/I140172145"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5019160089","display_name":"Graham T. Holt","orcid":"https://orcid.org/0000-0003-3354-9748"},"institutions":[{"id":"https://openalex.org/I170897317","display_name":"Duke University","ror":"https://ror.org/00py81415","country_code":"US","type":"education","lineage":["https://openalex.org/I170897317"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Graham T. Holt","raw_affiliation_strings":["Department of Computer Science, Duke University, Durham, North Carolina, United States of America","Program in Computational Biology and Bioinformatics, Duke University, Durham, North Carolina, United States of America"],"raw_orcid":"https://orcid.org/0000-0003-3354-9748","affiliations":[{"raw_affiliation_string":"Department of Computer Science, Duke University, Durham, North Carolina, United States of America","institution_ids":["https://openalex.org/I170897317"]},{"raw_affiliation_string":"Program in Computational Biology and Bioinformatics, Duke University, Durham, North Carolina, United States of America","institution_ids":["https://openalex.org/I170897317"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012624311","display_name":"Adegoke A. Ojewole","orcid":"https://orcid.org/0000-0003-2661-4388"},"institutions":[{"id":"https://openalex.org/I170897317","display_name":"Duke University","ror":"https://ror.org/00py81415","country_code":"US","type":"education","lineage":["https://openalex.org/I170897317"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Adegoke A. Ojewole","raw_affiliation_strings":["Department of Computer Science, Duke University, Durham, North Carolina, United States of America","Program in Computational Biology and Bioinformatics, Duke University, Durham, North Carolina, United States of America"],"raw_orcid":"https://orcid.org/0000-0003-2661-4388","affiliations":[{"raw_affiliation_string":"Department of Computer Science, Duke University, Durham, North Carolina, United States of America","institution_ids":["https://openalex.org/I170897317"]},{"raw_affiliation_string":"Program in Computational Biology and Bioinformatics, Duke University, Durham, North Carolina, United States of America","institution_ids":["https://openalex.org/I170897317"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024660770","display_name":"Marcel S. Frenkel","orcid":"https://orcid.org/0000-0002-5638-7692"},"institutions":[{"id":"https://openalex.org/I4210126298","display_name":"Duke Medical Center","ror":"https://ror.org/03njmea73","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I4210126298","https://openalex.org/I4210144876"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Marcel S. Frenkel","raw_affiliation_strings":["Department of Biochemistry, Duke University Medical Center, Durham, North Carolina, United States of America"],"raw_orcid":"https://orcid.org/0000-0002-5638-7692","affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Duke University Medical Center, Durham, North Carolina, United States of America","institution_ids":["https://openalex.org/I4210126298"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5030585779","display_name":"Pablo Ga\u00ednza","orcid":"https://orcid.org/0000-0001-9197-0982"},"institutions":[{"id":"https://openalex.org/I170897317","display_name":"Duke University","ror":"https://ror.org/00py81415","country_code":"US","type":"education","lineage":["https://openalex.org/I170897317"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Pablo Gainza","raw_affiliation_strings":["Department of Computer Science, Duke University, Durham, North Carolina, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computer Science, Duke University, Durham, North Carolina, United States of America","institution_ids":["https://openalex.org/I170897317"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002377361","display_name":"Santosh Keshipeddy","orcid":"https://orcid.org/0000-0002-9375-2230"},"institutions":[{"id":"https://openalex.org/I140172145","display_name":"University of Connecticut","ror":"https://ror.org/02der9h97","country_code":"US","type":"education","lineage":["https://openalex.org/I140172145"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Santosh Keshipeddy","raw_affiliation_strings":["Department of Pharmaceutical Sciences, University of Connecticut, Storrs, Connecticut, United States of America"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences, University of Connecticut, Storrs, Connecticut, United States of America","institution_ids":["https://openalex.org/I140172145"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5045500368","display_name":"Vance G. Fowler","orcid":"https://orcid.org/0000-0002-8048-0897"},"institutions":[{"id":"https://openalex.org/I4210126298","display_name":"Duke Medical Center","ror":"https://ror.org/03njmea73","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I4210126298","https://openalex.org/I4210144876"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Vance G. Fowler","raw_affiliation_strings":["Division of Infections Diseases, Department of Medicine, Duke University Medical Center, Durham, North Carolina, United States of America"],"raw_orcid":"https://orcid.org/0000-0002-8048-0897","affiliations":[{"raw_affiliation_string":"Division of Infections Diseases, Department of Medicine, Duke University Medical Center, Durham, North Carolina, United States of America","institution_ids":["https://openalex.org/I4210126298"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5018320671","display_name":"Dennis L. Wright","orcid":"https://orcid.org/0000-0003-4634-3351"},"institutions":[{"id":"https://openalex.org/I140172145","display_name":"University of Connecticut","ror":"https://ror.org/02der9h97","country_code":"US","type":"education","lineage":["https://openalex.org/I140172145"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Dennis L. Wright","raw_affiliation_strings":["Department of Chemistry, University of Connecticut, Storrs, Connecticut, United States of America","Department of Pharmaceutical Sciences, University of Connecticut, Storrs, Connecticut, United States of America"],"raw_orcid":"https://orcid.org/0000-0003-4634-3351","affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Connecticut, Storrs, Connecticut, United States of America","institution_ids":["https://openalex.org/I140172145"]},{"raw_affiliation_string":"Department of Pharmaceutical Sciences, University of Connecticut, Storrs, Connecticut, United States of America","institution_ids":["https://openalex.org/I140172145"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5046723017","display_name":"Bruce R. Donald","orcid":"https://orcid.org/0000-0001-6884-4398"},"institutions":[{"id":"https://openalex.org/I170897317","display_name":"Duke University","ror":"https://ror.org/00py81415","country_code":"US","type":"education","lineage":["https://openalex.org/I170897317"]},{"id":"https://openalex.org/I4210126298","display_name":"Duke Medical Center","ror":"https://ror.org/03njmea73","country_code":"US","type":"healthcare","lineage":["https://openalex.org/I4210126298","https://openalex.org/I4210144876"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Bruce R. Donald","raw_affiliation_strings":["Department of Biochemistry, Duke University Medical Center, Durham, North Carolina, United States of America","Department of Chemistry, Duke University, Durham, North Carolina, United States of America","Department of Computer Science, Duke University, Durham, North Carolina, United States of America","Department of Mathematics, Duke University, Durham, North Carolina, United States of America"],"raw_orcid":"https://orcid.org/0000-0001-6884-4398","affiliations":[{"raw_affiliation_string":"Department of Biochemistry, Duke University Medical Center, Durham, North Carolina, United States of America","institution_ids":["https://openalex.org/I4210126298"]},{"raw_affiliation_string":"Department of Chemistry, Duke University, Durham, North Carolina, United States of America","institution_ids":["https://openalex.org/I170897317"]},{"raw_affiliation_string":"Department of Computer Science, Duke University, Durham, North Carolina, United States of America","institution_ids":["https://openalex.org/I170897317"]},{"raw_affiliation_string":"Department of Mathematics, Duke University, Durham, North Carolina, United States of America","institution_ids":["https://openalex.org/I170897317"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":10,"corresponding_author_ids":["https://openalex.org/A5002377361","https://openalex.org/A5012624311","https://openalex.org/A5018320671","https://openalex.org/A5019160089","https://openalex.org/A5024660770","https://openalex.org/A5030585779","https://openalex.org/A5043334368","https://openalex.org/A5045500368","https://openalex.org/A5046723017","https://openalex.org/A5100358928"],"corresponding_institution_ids":["https://openalex.org/I140172145","https://openalex.org/I170897317","https://openalex.org/I4210126298"],"apc_list":{"value":2655,"currency":"USD","value_usd":2655},"apc_paid":{"value":2655,"currency":"USD","value_usd":2655},"fwci":1.4131,"has_fulltext":false,"cited_by_count":14,"citation_normalized_percentile":{"value":0.82440415,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":98},"biblio":{"volume":"18","issue":"2","first_page":"e1009855","last_page":"e1009855"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10195","display_name":"Antimicrobial Resistance in Staphylococcus","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T10195","display_name":"Antimicrobial Resistance in Staphylococcus","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T11162","display_name":"Enzyme Structure and Function","score":0.9968000054359436,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10147","display_name":"Antibiotic Resistance in Bacteria","score":0.9947999715805054,"subfield":{"id":"https://openalex.org/subfields/1313","display_name":"Molecular Medicine"},"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/dihydrofolate-reductase","display_name":"Dihydrofolate reductase","score":0.5832035541534424},{"id":"https://openalex.org/keywords/staphylococcus-aureus","display_name":"Staphylococcus aureus","score":0.5752459764480591},{"id":"https://openalex.org/keywords/stereocenter","display_name":"Stereocenter","score":0.44338318705558777},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.43364205956459045},{"id":"https://openalex.org/keywords/antifolate","display_name":"Antifolate","score":0.43178611993789673},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3840872347354889},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.3731849193572998},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.32082173228263855},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.2598850727081299},{"id":"https://openalex.org/keywords/genetics","display_name":"Genetics","score":0.23450064659118652},{"id":"https://openalex.org/keywords/bacteria","display_name":"Bacteria","score":0.1286850869655609}],"concepts":[{"id":"https://openalex.org/C2781320022","wikidata":"https://www.wikidata.org/wiki/Q417149","display_name":"Dihydrofolate reductase","level":3,"score":0.5832035541534424},{"id":"https://openalex.org/C2779489039","wikidata":"https://www.wikidata.org/wiki/Q188121","display_name":"Staphylococcus aureus","level":3,"score":0.5752459764480591},{"id":"https://openalex.org/C134195300","wikidata":"https://www.wikidata.org/wiki/Q902071","display_name":"Stereocenter","level":4,"score":0.44338318705558777},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.43364205956459045},{"id":"https://openalex.org/C2781382166","wikidata":"https://www.wikidata.org/wiki/Q50573407","display_name":"Antifolate","level":4,"score":0.43178611993789673},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3840872347354889},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3731849193572998},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.32082173228263855},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.2598850727081299},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.23450064659118652},{"id":"https://openalex.org/C523546767","wikidata":"https://www.wikidata.org/wiki/Q10876","display_name":"Bacteria","level":2,"score":0.1286850869655609},{"id":"https://openalex.org/C2776694085","wikidata":"https://www.wikidata.org/wiki/Q974135","display_name":"Chemotherapy","level":2,"score":0.0},{"id":"https://openalex.org/C146686406","wikidata":"https://www.wikidata.org/wiki/Q898628","display_name":"Enantioselective synthesis","level":3,"score":0.0},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.0},{"id":"https://openalex.org/C2778397455","wikidata":"https://www.wikidata.org/wiki/Q50429865","display_name":"Antimetabolite","level":3,"score":0.0}],"mesh":[{"descriptor_ui":"D005493","descriptor_name":"Folic Acid Antagonists","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D005493","descriptor_name":"Folic Acid Antagonists","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D005493","descriptor_name":"Folic Acid Antagonists","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D005493","descriptor_name":"Folic Acid Antagonists","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D005493","descriptor_name":"Folic Acid Antagonists","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D005493","descriptor_name":"Folic Acid Antagonists","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"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":"D009249","descriptor_name":"NADP","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D009249","descriptor_name":"NADP","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D009249","descriptor_name":"NADP","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D013203","descriptor_name":"Staphylococcal Infections","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013203","descriptor_name":"Staphylococcal Infections","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013203","descriptor_name":"Staphylococcal Infections","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013211","descriptor_name":"Staphylococcus aureus","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D013211","descriptor_name":"Staphylococcus aureus","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D013211","descriptor_name":"Staphylococcus aureus","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D013211","descriptor_name":"Staphylococcus aureus","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D013211","descriptor_name":"Staphylococcus aureus","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D013211","descriptor_name":"Staphylococcus aureus","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D013762","descriptor_name":"Tetrahydrofolate Dehydrogenase","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014295","descriptor_name":"Trimethoprim","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014295","descriptor_name":"Trimethoprim","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014295","descriptor_name":"Trimethoprim","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014295","descriptor_name":"Trimethoprim","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D014295","descriptor_name":"Trimethoprim","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D014295","descriptor_name":"Trimethoprim","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D014295","descriptor_name":"Trimethoprim","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014295","descriptor_name":"Trimethoprim","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D014295","descriptor_name":"Trimethoprim","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D024881","descriptor_name":"Drug Resistance, Bacterial","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D024881","descriptor_name":"Drug Resistance, Bacterial","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false},{"descriptor_ui":"D024881","descriptor_name":"Drug Resistance, Bacterial","qualifier_ui":"Q000235","qualifier_name":"genetics","is_major_topic":false}],"locations_count":5,"locations":[{"id":"doi:10.1371/journal.pcbi.1009855","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1009855","pdf_url":null,"source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLOS Computational Biology","raw_type":"journal-article"},{"id":"pmid:35143481","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/35143481","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":"PLoS computational biology","raw_type":null},{"id":"pmh:oai:RePEc:plo:pcbi00:1009855","is_oa":false,"landing_page_url":"https://journals.plos.org/ploscompbiol/article?id=10.1371/journal.pcbi.1009855","pdf_url":null,"source":{"id":"https://openalex.org/S4306401271","display_name":"RePEc: Research Papers in Economics","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I77793887","host_organization_name":"Federal Reserve Bank of St. Louis","host_organization_lineage":["https://openalex.org/I77793887"],"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":"article"},{"id":"pmh:oai:doaj.org/article:760112bcadb84e1a84002595002ee2fb","is_oa":true,"landing_page_url":"https://doaj.org/article/760112bcadb84e1a84002595002ee2fb","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"PLoS Computational Biology, Vol 18, Iss 2, p e1009855 (2022)","raw_type":"article"},{"id":"pmh:oai:pubmedcentral.nih.gov:8865654","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/8865654","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"PLoS Comput Biol","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1371/journal.pcbi.1009855","is_oa":true,"landing_page_url":"https://doi.org/10.1371/journal.pcbi.1009855","pdf_url":null,"source":{"id":"https://openalex.org/S86033158","display_name":"PLoS Computational Biology","issn_l":"1553-734X","issn":["1553-734X","1553-7358"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310315706","host_organization_name":"Public Library of Science","host_organization_lineage":["https://openalex.org/P4310315706"],"host_organization_lineage_names":["Public Library of Science"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"PLOS Computational Biology","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.47999998927116394,"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3"}],"awards":[{"id":"https://openalex.org/G1864612849","display_name":null,"funder_award_id":"R35 GM144042","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G5992196144","display_name":null,"funder_award_id":"R01 GM078031","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G6584635821","display_name":null,"funder_award_id":"R01 AI111957","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G8889501524","display_name":null,"funder_award_id":"R01 GM118543","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"},{"id":"https://openalex.org/G8978711156","display_name":null,"funder_award_id":"AI111957","funder_id":"https://openalex.org/F4320332161","funder_display_name":"National Institutes of Health"}],"funders":[{"id":"https://openalex.org/F4320332161","display_name":"National Institutes of Health","ror":"https://ror.org/01cwqze88"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":50,"referenced_works":["https://openalex.org/W22834980","https://openalex.org/W49476562","https://openalex.org/W1494286622","https://openalex.org/W1964360190","https://openalex.org/W1966652884","https://openalex.org/W1980703922","https://openalex.org/W1994670783","https://openalex.org/W1994911131","https://openalex.org/W1995970484","https://openalex.org/W2018069611","https://openalex.org/W2028894926","https://openalex.org/W2030766455","https://openalex.org/W2034882714","https://openalex.org/W2045023379","https://openalex.org/W2046467237","https://openalex.org/W2048236910","https://openalex.org/W2048657980","https://openalex.org/W2049189206","https://openalex.org/W2059105573","https://openalex.org/W2061033196","https://openalex.org/W2066759906","https://openalex.org/W2068745581","https://openalex.org/W2072176925","https://openalex.org/W2073125464","https://openalex.org/W2074631079","https://openalex.org/W2076206735","https://openalex.org/W2081962200","https://openalex.org/W2094311039","https://openalex.org/W2096506888","https://openalex.org/W2096648003","https://openalex.org/W2117905361","https://openalex.org/W2118233996","https://openalex.org/W2119699721","https://openalex.org/W2123018247","https://openalex.org/W2124026197","https://openalex.org/W2126559590","https://openalex.org/W2133740833","https://openalex.org/W2134443476","https://openalex.org/W2154858303","https://openalex.org/W2171139450","https://openalex.org/W2172114588","https://openalex.org/W2180229411","https://openalex.org/W2286055849","https://openalex.org/W2320493651","https://openalex.org/W2340987618","https://openalex.org/W2420343366","https://openalex.org/W2948926494","https://openalex.org/W2951122824","https://openalex.org/W2977255626","https://openalex.org/W4211141680"],"related_works":["https://openalex.org/W2070867384","https://openalex.org/W2429370149","https://openalex.org/W1979040389","https://openalex.org/W2017754958","https://openalex.org/W2137570846","https://openalex.org/W2158292139","https://openalex.org/W2170816730","https://openalex.org/W3807580","https://openalex.org/W136397467","https://openalex.org/W1993532321"],"abstract_inverted_index":{"Antimicrobial":[0],"resistance":[1,18,80,141],"presents":[2],"a":[3,103,116,123],"significant":[4],"health":[5],"care":[6],"crisis.":[7],"The":[8],"mutation":[9],"F98Y":[10,41,45,120],"in":[11,55,94],"Staphylococcus":[12],"aureus":[13],"dihydrofolate":[14],"reductase":[15],"(SaDHFR)":[16],"confers":[17],"to":[19,101,129],"the":[20,56,60,66,70,75,95],"clinically":[21],"important":[22],"antifolate":[23],"trimethoprim":[24],"(TMP).":[25],"Propargyl-linked":[26],"antifolates":[27],"(PLAs),":[28],"next":[29],"generation":[30],"DHFR":[31],"inhibitors,":[32],"are":[33],"much":[34],"more":[35],"resilient":[36],"than":[37],"TMP":[38],"against":[39],"this":[40,44,140],"variant,":[42],"yet":[43],"substitution":[46],"still":[47],"reduces":[48],"efficacy":[49],"of":[50,63,69,78,106,127],"these":[51],"agents.":[52],"Surprisingly,":[53],"differences":[54],"enantiomeric":[57],"configuration":[58,126],"at":[59],"stereogenic":[61],"center":[62],"PLAs":[64,136],"influence":[65],"isomeric":[67,87],"state":[68],"NADPH":[71,86,128],"cofactor.":[72],"To":[73],"understand":[74],"molecular":[76],"basis":[77],"F98Y-mediated":[79],"and":[81,110],"how":[82,119],"PLAs'":[83,132],"inhibition":[84],"drives":[85],"states,":[88],"we":[89,114],"used":[90],"protein":[91,97],"design":[92,98],"algorithms":[93],"osprey":[96],"software":[99],"suite":[100,105],"analyze":[102],"comprehensive":[104],"structural,":[107],"biophysical,":[108],"biochemical,":[109],"computational":[111],"data.":[112],"Here,":[113],"present":[115],"model":[117],"showing":[118],"SaDHFR":[121],"exploits":[122],"different":[124],"anomeric":[125],"evade":[130],"certain":[131],"inhibition,":[133],"while":[134],"other":[135],"remain":[137],"unaffected":[138],"by":[139],"mechanism.":[142]},"counts_by_year":[{"year":2025,"cited_by_count":5},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":3}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}