{"id":"https://openalex.org/W4389915941","doi":"https://doi.org/10.3390/molecules28248115","title":"Rationally Designed Novel Phenyloxazoline Synthase Inhibitors: Chemical Synthesis and Biological Evaluation to Accelerate the Discovery of New Antimycobacterial Antibiotics","display_name":"Rationally Designed Novel Phenyloxazoline Synthase Inhibitors: Chemical Synthesis and Biological Evaluation to Accelerate the Discovery of New Antimycobacterial Antibiotics","publication_year":2023,"publication_date":"2023-12-15","ids":{"openalex":"https://openalex.org/W4389915941","doi":"https://doi.org/10.3390/molecules28248115","pmid":"https://pubmed.ncbi.nlm.nih.gov/38138601","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/10745776"},"language":"en","primary_location":{"id":"doi:10.3390/molecules28248115","doi":"https://doi.org/10.3390/molecules28248115","is_oa":true,"landing_page_url":"https://doi.org/10.3390/molecules28248115","pdf_url":"https://www.mdpi.com/1420-3049/28/24/8115/pdf?version=1703142797","source":{"id":"https://openalex.org/S108911230","display_name":"Molecules","issn_l":"1420-3049","issn":["1420-3049","1433-1373"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doaj","medline","poland-140","russia-white-list-1"],"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecules","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/1420-3049/28/24/8115/pdf?version=1703142797","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5071223460","display_name":"Mousumi Shyam","orcid":"https://orcid.org/0000-0002-0791-3772","observed_orcids":["https://orcid.org/0000-0002-0791-3772"]},"institutions":[{"id":"https://openalex.org/I115715567","display_name":"Birla Institute of Technology, Mesra","ror":"https://ror.org/028vtqb15","country_code":"IN","type":"education","lineage":["https://openalex.org/I115715567"]},{"id":"https://openalex.org/I4210157240","display_name":"Institute of Structural and Molecular Biology","ror":"https://ror.org/05wsetc54","country_code":"GB","type":"facility","lineage":["https://openalex.org/I124357947","https://openalex.org/I4210157240","https://openalex.org/I45129253","https://openalex.org/I98259816"]},{"id":"https://openalex.org/I98259816","display_name":"Birkbeck, University of London","ror":"https://ror.org/02mb95055","country_code":"GB","type":"education","lineage":["https://openalex.org/I124357947","https://openalex.org/I98259816"]}],"countries":["GB","IN"],"is_corresponding":false,"raw_author_name":"Mousumi Shyam","raw_affiliation_strings":["Department of Pharmaceutical Sciences & Technology, Birla Institute of Technology, Mesra, Ranchi 835215, India","Mycobacteria Research Laboratory, School of Natural Sciences, Institute of Structural and Molecular Biology, Birkbeck, University of London, Malet Street, London WC1E 7HX, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences & Technology, Birla Institute of Technology, Mesra, Ranchi 835215, India","institution_ids":["https://openalex.org/I115715567"]},{"raw_affiliation_string":"Mycobacteria Research Laboratory, School of Natural Sciences, Institute of Structural and Molecular Biology, Birkbeck, University of London, Malet Street, London WC1E 7HX, UK","institution_ids":["https://openalex.org/I4210157240","https://openalex.org/I98259816"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5057950762","display_name":"Gourab Bhattacharje","orcid":"https://orcid.org/0000-0001-7823-8033","observed_orcids":["https://orcid.org/0000-0001-7823-8033"]},"institutions":[{"id":"https://openalex.org/I145894827","display_name":"Indian Institute of Technology Kharagpur","ror":"https://ror.org/03w5sq511","country_code":"IN","type":"education","lineage":["https://openalex.org/I145894827"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Gourab Bhattacharje","raw_affiliation_strings":["Department of Biotechnology, Indian Institute of Technology Kharagpur, Kharagpur 721302, India"],"raw_orcid":"https://orcid.org/0000-0001-7823-8033","affiliations":[{"raw_affiliation_string":"Department of Biotechnology, Indian Institute of Technology Kharagpur, Kharagpur 721302, India","institution_ids":["https://openalex.org/I145894827"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5005452527","display_name":"Chris Daniel","orcid":"https://orcid.org/0000-0002-8650-516X","observed_orcids":["https://orcid.org/0000-0002-8650-516X"]},"institutions":[{"id":"https://openalex.org/I4210157240","display_name":"Institute of Structural and Molecular Biology","ror":"https://ror.org/05wsetc54","country_code":"GB","type":"facility","lineage":["https://openalex.org/I124357947","https://openalex.org/I4210157240","https://openalex.org/I45129253","https://openalex.org/I98259816"]},{"id":"https://openalex.org/I98259816","display_name":"Birkbeck, University of London","ror":"https://ror.org/02mb95055","country_code":"GB","type":"education","lineage":["https://openalex.org/I124357947","https://openalex.org/I98259816"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Chris Daniel","raw_affiliation_strings":["Mycobacteria Research Laboratory, School of Natural Sciences, Institute of Structural and Molecular Biology, Birkbeck, University of London, Malet Street, London WC1E 7HX, UK"],"raw_orcid":"https://orcid.org/0000-0002-8650-516X","affiliations":[{"raw_affiliation_string":"Mycobacteria Research Laboratory, School of Natural Sciences, Institute of Structural and Molecular Biology, Birkbeck, University of London, Malet Street, London WC1E 7HX, UK","institution_ids":["https://openalex.org/I4210157240","https://openalex.org/I98259816"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103193680","display_name":"Amrendra Kumar","orcid":"https://orcid.org/0000-0002-6561-0438","observed_orcids":["https://orcid.org/0000-0002-6561-0438"]},"institutions":[{"id":"https://openalex.org/I185249246","display_name":"Central Drug Research Institute","ror":"https://ror.org/04t8qjg16","country_code":"IN","type":"facility","lineage":["https://openalex.org/I185249246","https://openalex.org/I2799351866","https://openalex.org/I4210134808","https://openalex.org/I66760702"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Amrendra Kumar","raw_affiliation_strings":["Division of Medicinal & Process Chemistry, CSIR-Central Drug Research Institute, Sector 10 Janakipuram Extension, Sitapur Road, Lucknow 226031, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Division of Medicinal & Process Chemistry, CSIR-Central Drug Research Institute, Sector 10 Janakipuram Extension, Sitapur Road, Lucknow 226031, India","institution_ids":["https://openalex.org/I185249246"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009304672","display_name":"Pragya Dhruv Yadav","orcid":"https://orcid.org/0000-0002-0861-7166","observed_orcids":["https://orcid.org/0000-0002-0861-7166"]},"institutions":[{"id":"https://openalex.org/I185249246","display_name":"Central Drug Research Institute","ror":"https://ror.org/04t8qjg16","country_code":"IN","type":"facility","lineage":["https://openalex.org/I185249246","https://openalex.org/I2799351866","https://openalex.org/I4210134808","https://openalex.org/I66760702"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Pragya Yadav","raw_affiliation_strings":["Division of Medicinal & Process Chemistry, CSIR-Central Drug Research Institute, Sector 10 Janakipuram Extension, Sitapur Road, Lucknow 226031, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Division of Medicinal & Process Chemistry, CSIR-Central Drug Research Institute, Sector 10 Janakipuram Extension, Sitapur Road, Lucknow 226031, India","institution_ids":["https://openalex.org/I185249246"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Piyali Mukherjee","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I59270414","display_name":"Indian Institute of Science Bangalore","ror":"https://ror.org/04dese585","country_code":"IN","type":"education","lineage":["https://openalex.org/I59270414"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Piyali Mukherjee","raw_affiliation_strings":["Department of Microbiology and Cell Biology, Centre for Infectious Disease Research, Indian Institute of Science, CV Raman Avenue, Bengaluru 560012, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Microbiology and Cell Biology, Centre for Infectious Disease Research, Indian Institute of Science, CV Raman Avenue, Bengaluru 560012, India","institution_ids":["https://openalex.org/I59270414"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038928734","display_name":"Samsher Singh","orcid":"https://orcid.org/0000-0001-7075-931X","observed_orcids":["https://orcid.org/0000-0001-7075-931X"]},"institutions":[{"id":"https://openalex.org/I59270414","display_name":"Indian Institute of Science Bangalore","ror":"https://ror.org/04dese585","country_code":"IN","type":"education","lineage":["https://openalex.org/I59270414"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Samsher Singh","raw_affiliation_strings":["Department of Microbiology and Cell Biology, Centre for Infectious Disease Research, Indian Institute of Science, CV Raman Avenue, Bengaluru 560012, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Microbiology and Cell Biology, Centre for Infectious Disease Research, Indian Institute of Science, CV Raman Avenue, Bengaluru 560012, India","institution_ids":["https://openalex.org/I59270414"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5007472894","display_name":"Amit Kumar Das","orcid":"https://orcid.org/0000-0001-9703-1898","observed_orcids":["https://orcid.org/0000-0001-9703-1898"]},"institutions":[{"id":"https://openalex.org/I145894827","display_name":"Indian Institute of Technology Kharagpur","ror":"https://ror.org/03w5sq511","country_code":"IN","type":"education","lineage":["https://openalex.org/I145894827"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Amit Kumar Das","raw_affiliation_strings":["Department of Biotechnology, Indian Institute of Technology Kharagpur, Kharagpur 721302, India"],"raw_orcid":"https://orcid.org/0000-0001-9703-1898","affiliations":[{"raw_affiliation_string":"Department of Biotechnology, Indian Institute of Technology Kharagpur, Kharagpur 721302, India","institution_ids":["https://openalex.org/I145894827"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075946768","display_name":"Tadigoppula Narender","orcid":"https://orcid.org/0009-0009-1616-2008","observed_orcids":["https://orcid.org/0009-0009-1616-2008"]},"institutions":[{"id":"https://openalex.org/I185249246","display_name":"Central Drug Research Institute","ror":"https://ror.org/04t8qjg16","country_code":"IN","type":"facility","lineage":["https://openalex.org/I185249246","https://openalex.org/I2799351866","https://openalex.org/I4210134808","https://openalex.org/I66760702"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Tadigoppula Narender","raw_affiliation_strings":["Division of Medicinal & Process Chemistry, CSIR-Central Drug Research Institute, Sector 10 Janakipuram Extension, Sitapur Road, Lucknow 226031, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Division of Medicinal & Process Chemistry, CSIR-Central Drug Research Institute, Sector 10 Janakipuram Extension, Sitapur Road, Lucknow 226031, India","institution_ids":["https://openalex.org/I185249246"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067909461","display_name":"Amit Singh","orcid":"https://orcid.org/0000-0001-6761-1664","observed_orcids":["https://orcid.org/0000-0001-6761-1664","https://orcid.org/0000-0001-7028-1803"]},"institutions":[{"id":"https://openalex.org/I59270414","display_name":"Indian Institute of Science Bangalore","ror":"https://ror.org/04dese585","country_code":"IN","type":"education","lineage":["https://openalex.org/I59270414"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Amit Singh","raw_affiliation_strings":["Department of Microbiology and Cell Biology, Centre for Infectious Disease Research, Indian Institute of Science, CV Raman Avenue, Bengaluru 560012, India"],"raw_orcid":"https://orcid.org/0000-0001-6761-1664","affiliations":[{"raw_affiliation_string":"Department of Microbiology and Cell Biology, Centre for Infectious Disease Research, Indian Institute of Science, CV Raman Avenue, Bengaluru 560012, India","institution_ids":["https://openalex.org/I59270414"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069330789","display_name":"Venkatesan Jayaprakash","orcid":"https://orcid.org/0000-0002-9724-4153","observed_orcids":["https://orcid.org/0000-0002-9724-4153"]},"institutions":[{"id":"https://openalex.org/I115715567","display_name":"Birla Institute of Technology, Mesra","ror":"https://ror.org/028vtqb15","country_code":"IN","type":"education","lineage":["https://openalex.org/I115715567"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Venkatesan Jayaprakash","raw_affiliation_strings":["Department of Pharmaceutical Sciences & Technology, Birla Institute of Technology, Mesra, Ranchi 835215, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Sciences & Technology, Birla Institute of Technology, Mesra, Ranchi 835215, India","institution_ids":["https://openalex.org/I115715567"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5072208815","display_name":"Sanjib Bhakta","orcid":"https://orcid.org/0000-0002-1165-9295","observed_orcids":["https://orcid.org/0000-0002-1165-9295"]},"institutions":[{"id":"https://openalex.org/I4210157240","display_name":"Institute of Structural and Molecular Biology","ror":"https://ror.org/05wsetc54","country_code":"GB","type":"facility","lineage":["https://openalex.org/I124357947","https://openalex.org/I4210157240","https://openalex.org/I45129253","https://openalex.org/I98259816"]},{"id":"https://openalex.org/I98259816","display_name":"Birkbeck, University of London","ror":"https://ror.org/02mb95055","country_code":"GB","type":"education","lineage":["https://openalex.org/I124357947","https://openalex.org/I98259816"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Sanjib Bhakta","raw_affiliation_strings":["Mycobacteria Research Laboratory, School of Natural Sciences, Institute of Structural and Molecular Biology, Birkbeck, University of London, Malet Street, London WC1E 7HX, UK"],"raw_orcid":"https://orcid.org/0000-0002-1165-9295","affiliations":[{"raw_affiliation_string":"Mycobacteria Research Laboratory, School of Natural Sciences, Institute of Structural and Molecular Biology, Birkbeck, University of London, Malet Street, London WC1E 7HX, UK","institution_ids":["https://openalex.org/I4210157240","https://openalex.org/I98259816"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5069330789","https://openalex.org/A5072208815"],"corresponding_institution_ids":["https://openalex.org/I115715567","https://openalex.org/I4210157240","https://openalex.org/I98259816"],"apc_list":{"value":2300,"currency":"CHF","value_usd":2558},"apc_paid":{"value":2300,"currency":"CHF","value_usd":2558},"fwci":0.3269,"has_fulltext":true,"cited_by_count":3,"citation_normalized_percentile":{"value":0.37407897,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":95},"biblio":{"volume":"28","issue":"24","first_page":"8115","last_page":"8115"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.44749999046325684,"subfield":{"id":"https://openalex.org/subfields/2402","display_name":"Applied Microbiology and Biotechnology"},"field":{"id":"https://openalex.org/fields/24","display_name":"Immunology and Microbiology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.44749999046325684,"subfield":{"id":"https://openalex.org/subfields/2402","display_name":"Applied Microbiology and Biotechnology"},"field":{"id":"https://openalex.org/fields/24","display_name":"Immunology and Microbiology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10038","display_name":"Tuberculosis Research and Epidemiology","score":0.14419999718666077,"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/T13160","display_name":"Synthesis and Biological Evaluation","score":0.13330000638961792,"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/transition-state-analogs","display_name":"transition state analogues","score":0.9480000138282776},{"id":"https://openalex.org/keywords/siderophore-biosynthesis","display_name":"siderophore biosynthesis","score":0.984000027179718},{"id":"https://openalex.org/keywords/drug-resistant-tuberculosis","display_name":"drug-resistant tuberculosis","score":0.777999997138977},{"id":"https://openalex.org/keywords/mycobacterium-aurum","display_name":"Mycobacterium aurum","score":0.9549999833106995},{"id":"https://openalex.org/keywords/mycobacterium-smegmatis","display_name":"Mycobacterium smegmatis","score":0.9929999709129333},{"id":"https://openalex.org/keywords/efflux-pump-inhibition","display_name":"efflux pump inhibition","score":0.8840000033378601},{"id":"https://openalex.org/keywords/iron-starvation","display_name":"iron starvation","score":0.5730000138282776},{"id":"https://openalex.org/keywords/enzyme-active-site-binding","display_name":"enzyme active site binding","score":0.4490000009536743}],"concepts":[{"id":"https://openalex.org/C2779685592","wikidata":"https://www.wikidata.org/wiki/Q2853298","display_name":"Antimycobacterial","level":4,"score":0.9305974841117859},{"id":"https://openalex.org/C2777975735","wikidata":"https://www.wikidata.org/wiki/Q130971","display_name":"Mycobacterium tuberculosis","level":3,"score":0.6698830127716064},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.6070593595504761},{"id":"https://openalex.org/C2777204207","wikidata":"https://www.wikidata.org/wiki/Q606230","display_name":"Mycobacterium smegmatis","level":4,"score":0.5816649198532104},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.49675852060317993},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.4711567163467407},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.45573410391807556},{"id":"https://openalex.org/C2780374374","wikidata":"https://www.wikidata.org/wiki/Q194309","display_name":"Mycobacterium","level":3,"score":0.4396286904811859},{"id":"https://openalex.org/C501593827","wikidata":"https://www.wikidata.org/wiki/Q12187","display_name":"Antibiotics","level":2,"score":0.4217855632305145},{"id":"https://openalex.org/C89423630","wikidata":"https://www.wikidata.org/wiki/Q7193","display_name":"Microbiology","level":1,"score":0.3969899117946625},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.39432236552238464},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.3888426125049591},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.37508952617645264},{"id":"https://openalex.org/C2781069245","wikidata":"https://www.wikidata.org/wiki/Q12204","display_name":"Tuberculosis","level":2,"score":0.3332262337207794},{"id":"https://openalex.org/C523546767","wikidata":"https://www.wikidata.org/wiki/Q10876","display_name":"Bacteria","level":2,"score":0.2926231622695923},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.10727295279502869},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.07728996872901917},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C142724271","wikidata":"https://www.wikidata.org/wiki/Q7208","display_name":"Pathology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D000900","descriptor_name":"Anti-Bacterial Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000995","descriptor_name":"Antitubercular Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D007501","descriptor_name":"Iron","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D009169","descriptor_name":"Mycobacterium tuberculosis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D020102","descriptor_name":"Mycobacterium smegmatis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":5,"locations":[{"id":"doi:10.3390/molecules28248115","doi":"https://doi.org/10.3390/molecules28248115","is_oa":true,"landing_page_url":"https://doi.org/10.3390/molecules28248115","pdf_url":"https://www.mdpi.com/1420-3049/28/24/8115/pdf?version=1703142797","source":{"id":"https://openalex.org/S108911230","display_name":"Molecules","issn_l":"1420-3049","issn":["1420-3049","1433-1373"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doaj","medline","poland-140","russia-white-list-1"],"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecules","raw_type":"journal-article"},{"id":"pmh:oai:pubmedcentral.nih.gov:10745776","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10745776","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10745776/pdf/molecules-28-08115.pdf","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,"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecules","raw_type":"Text"},{"id":"pmid:38138601","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38138601","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":"Molecules (Basel, Switzerland)","raw_type":"Journal Article"},{"id":"pmh:oai:eprints.bbk.ac.uk.oai2:53415","doi":null,"is_oa":true,"landing_page_url":"https://eprints.bbk.ac.uk/id/eprint/53415/2/molecules-28-08115-v3.pdf","pdf_url":"https://eprints.bbk.ac.uk/id/eprint/53415/2/molecules-28-08115-v3.pdf","source":{"id":"https://openalex.org/S4306400465","display_name":"BIROn (Birkbeck, University of London)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I98259816","host_organization_name":"Birkbeck, University of London","host_organization_lineage":["https://openalex.org/I98259816"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"Article"},{"id":"pmh:oai:doaj.org/article:05e022cb8178435aaf84fe49218a3c2f","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/05e022cb8178435aaf84fe49218a3c2f","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","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":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Molecules, Vol 28, Iss 24, p 8115 (2023)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.3390/molecules28248115","doi":"https://doi.org/10.3390/molecules28248115","is_oa":true,"landing_page_url":"https://doi.org/10.3390/molecules28248115","pdf_url":"https://www.mdpi.com/1420-3049/28/24/8115/pdf?version=1703142797","source":{"id":"https://openalex.org/S108911230","display_name":"Molecules","issn_l":"1420-3049","issn":["1420-3049","1433-1373"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["anvur-scientific","cwts-core","doaj","medline","poland-140","russia-white-list-1"],"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Molecules","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.504800021648407,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"study_designs":[],"awards":[{"id":"https://openalex.org/G402356165","display_name":null,"funder_award_id":"2019-20","funder_id":"https://openalex.org/F4320320719","funder_display_name":"Department of Science and Technology, Ministry of Science and Technology, India"},{"id":"https://openalex.org/G7229784703","display_name":null,"funder_award_id":"EMR/2016/000675","funder_id":"https://openalex.org/F4320334771","funder_display_name":"Science and Engineering Research Board"},{"id":"https://openalex.org/G7472300971","display_name":null,"funder_award_id":"BT/IN/NBPP/MS/20/2019-20","funder_id":"https://openalex.org/F4320334771","funder_display_name":"Science and Engineering Research Board"},{"id":"https://openalex.org/G8572416517","display_name":null,"funder_award_id":"EMR/2016","funder_id":"https://openalex.org/F4320334771","funder_display_name":"Science and Engineering Research Board"}],"funders":[{"id":"https://openalex.org/F4320320719","display_name":"Department of Science and Technology, Ministry of Science and Technology, India","ror":"https://ror.org/0101xrq71"},{"id":"https://openalex.org/F4320334771","display_name":"Science and Engineering Research Board","ror":"https://ror.org/03ffdsr55"},{"id":"https://openalex.org/F4320337093","display_name":"Birkbeck, University of London","ror":"https://ror.org/02mb95055"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4389915941.pdf","grobid_xml":"https://content.openalex.org/works/W4389915941.grobid-xml"},"referenced_works_count":28,"referenced_works":["https://openalex.org/W811710333","https://openalex.org/W1031578623","https://openalex.org/W1964115801","https://openalex.org/W1980530950","https://openalex.org/W1988187251","https://openalex.org/W2000304849","https://openalex.org/W2003949305","https://openalex.org/W2015642465","https://openalex.org/W2016358045","https://openalex.org/W2028046413","https://openalex.org/W2044172327","https://openalex.org/W2058830070","https://openalex.org/W2105668062","https://openalex.org/W2120105044","https://openalex.org/W2139942857","https://openalex.org/W2147185188","https://openalex.org/W2154020361","https://openalex.org/W2317261396","https://openalex.org/W2606142660","https://openalex.org/W2793274754","https://openalex.org/W2910861679","https://openalex.org/W2989282324","https://openalex.org/W2996868847","https://openalex.org/W3116778142","https://openalex.org/W4205503847","https://openalex.org/W4255677297","https://openalex.org/W4280520894","https://openalex.org/W4290960184"],"related_works":["https://openalex.org/W4290999082","https://openalex.org/W3145943505","https://openalex.org/W4321128548","https://openalex.org/W4411312341","https://openalex.org/W4407362312","https://openalex.org/W3131962450","https://openalex.org/W4386790283","https://openalex.org/W2802959168","https://openalex.org/W3002418521","https://openalex.org/W7117510326"],"abstract_inverted_index":{"The":[0],"uncontrolled":[1],"spread":[2],"of":[3,13,19,27,40,47,57,73,103,139,174],"drug-resistant":[4],"tuberculosis":[5],"(DR-TB)":[6],"clinical":[7],"cases":[8],"necessitates":[9],"the":[10,24,36,48,99,106,110,179,184],"urgent":[11],"discovery":[12],"newer":[14],"chemotypes":[15],"with":[16],"novel":[17,30,188],"mechanisms":[18],"action.":[20],"Here,":[21],"we":[22,79],"report":[23],"chemical":[25],"synthesis":[26],"rationally":[28],"designed":[29],"transition-state":[31],"analogues":[32,59],"(TSAs)":[33],"by":[34,176],"targeting":[35],"cyclization":[37],"(Cy)":[38],"domain":[39,182],"phenyloxazoline":[41],"synthase":[42],"(MbtB),":[43],"a":[44,71,81,115],"key":[45],"enzyme":[46,129],"conditionally":[49],"essential":[50],"siderophore":[51],"biosynthesis":[52],"pathway.":[53],"Following":[54],"bio-assay-guided":[55],"evaluation":[56],"TSA":[58],"preferentially":[60],"in":[61,144,149,153],"iron-deprived":[62],"and":[63,75,88,105,122,130],"iron-rich":[64],"media":[65],"to":[66,93,124,151],"understand":[67],"target":[68],"preferentiality":[69],"against":[70,141,159,170],"panel":[72],"pathogenic":[74],"non-pathogenic":[76],"mycobacteria":[77],"strains,":[78],"identified":[80],"hit,":[82],"i.e.,":[83],"TSA-5.":[84],"Molecular":[85],"docking,":[86],"dynamics,":[87],"MMPBSA":[89],"calculations":[90],"enabled":[91],"us":[92],"comprehend":[94],"TSA-5\u2019s":[95],"stable":[96,125],"binding":[97,112],"at":[98],"active":[100],"site":[101],"pocket":[102,113],"MbtB_Cy":[104,111,181],"results":[107],"imply":[108],"that":[109],"has":[114],"strong":[116],"affinity":[117],"for":[118,186],"electron-withdrawing":[119],"functional":[120],"groups":[121],"contributes":[123],"polar":[126],"interactions":[127],"between":[128],"ligand.":[131],"Furthermore,":[132],"enhanced":[133],"intracellular":[134],"killing":[135],"efficacy":[136,156],"(8":[137],"\u03bcg/mL)":[138,158],"TSA-5":[140,162,175],"Mycobacterium":[142,171],"aurum":[143],"infected":[145],"macrophages":[146],"is":[147],"noted":[148],"comparison":[150],"moderate":[152],"vitro":[154],"antimycobacterial":[155],"(64":[157],"M.":[160],"aurum.":[161],"also":[163],"demonstrates":[164],"whole-cell":[165],"efflux":[166],"pump":[167],"inhibitory":[168],"activity":[169],"smegmatis.":[172],"Identification":[173],"focusing":[177],"on":[178],"modular":[180],"paves":[183],"way":[185],"accelerating":[187],"anti-TB":[189],"antibiotic":[190],"discoveries.":[191]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1}],"updated_date":"2026-11-05T12:25:35.769452","created_date":"2023-12-19T00:00:00"}