{"id":"https://openalex.org/W2045677975","doi":"https://doi.org/10.1016/s1672-0229(10)60026-5","title":"Identification of Potential<i>Leptospira</i>Phosphoheptose Isomerase Inhibitors Through Virtual High-Throughput Screening","display_name":"Identification of Potential<i>Leptospira</i>Phosphoheptose Isomerase Inhibitors Through Virtual High-Throughput Screening","publication_year":2010,"publication_date":"2010-12-01","ids":{"openalex":"https://openalex.org/W2045677975","doi":"https://doi.org/10.1016/s1672-0229(10)60026-5","mag":"2045677975","pmid":"https://pubmed.ncbi.nlm.nih.gov/21382593"},"language":"en","primary_location":{"id":"doi:10.1016/s1672-0229(10)60026-5","is_oa":true,"landing_page_url":"https://doi.org/10.1016/s1672-0229(10)60026-5","pdf_url":"https://www.sciencedirect.com/science/article/pii/S1672022910600265/pdf","source":{"id":"https://openalex.org/S155547894","display_name":"Genomics Proteomics & Bioinformatics","issn_l":"1672-0229","issn":["1672-0229","2210-3244"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Genomics, Proteomics &amp; Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.sciencedirect.com/science/article/pii/S1672022910600265/pdf","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5058385663","display_name":"Amineni Umamaheswari","orcid":"https://orcid.org/0000-0001-6092-1715"},"institutions":[{"id":"https://openalex.org/I107740395","display_name":"Sri Venkateswara Institute of Medical Sciences","ror":"https://ror.org/039thcs93","country_code":"IN","type":"education","lineage":["https://openalex.org/I107740395"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Amineni Umamaheswari","raw_affiliation_strings":["SVIMS Bioinformatics Centre, SVIMS University , Tirupati 517507 , India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"SVIMS Bioinformatics Centre, SVIMS University , Tirupati 517507 , India","institution_ids":["https://openalex.org/I107740395"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071587604","display_name":"Dibyabhaba Pradhan","orcid":"https://orcid.org/0000-0002-2459-5032"},"institutions":[{"id":"https://openalex.org/I107740395","display_name":"Sri Venkateswara Institute of Medical Sciences","ror":"https://ror.org/039thcs93","country_code":"IN","type":"education","lineage":["https://openalex.org/I107740395"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Dibyabhaba Pradhan","raw_affiliation_strings":["SVIMS Bioinformatics Centre, SVIMS University , Tirupati 517507 , India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"SVIMS Bioinformatics Centre, SVIMS University , Tirupati 517507 , India","institution_ids":["https://openalex.org/I107740395"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5085578917","display_name":"M. Hemanth Kumar","orcid":"https://orcid.org/0000-0002-6058-7478"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Marisetty Hemanthkumar","raw_affiliation_strings":["Agricultural Research Station , Perumallapalle, Tirupati 517507 , India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Agricultural Research Station , Perumallapalle, Tirupati 517507 , India","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5058385663"],"corresponding_institution_ids":["https://openalex.org/I107740395"],"apc_list":{"value":3650,"currency":"USD","value_usd":3650},"apc_paid":{"value":3650,"currency":"USD","value_usd":3650},"fwci":2.0186,"has_fulltext":true,"cited_by_count":29,"citation_normalized_percentile":{"value":0.83444291,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"8","issue":"4","first_page":"246","last_page":"255"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12223","display_name":"Leptospirosis research and findings","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/2405","display_name":"Parasitology"},"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/T12223","display_name":"Leptospirosis research and findings","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/2405","display_name":"Parasitology"},"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":0.9690999984741211,"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/T10823","display_name":"Research on Leishmaniasis Studies","score":0.9153000116348267,"subfield":{"id":"https://openalex.org/subfields/2739","display_name":"Public Health, Environmental and Occupational Health"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.7910566329956055},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.6703168153762817},{"id":"https://openalex.org/keywords/leptospira","display_name":"Leptospira","score":0.6468544006347656},{"id":"https://openalex.org/keywords/high-throughput-screening","display_name":"High-throughput screening","score":0.5874786376953125},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.5004019737243652},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.4924698770046234},{"id":"https://openalex.org/keywords/modeller","display_name":"MODELLER","score":0.4324565827846527},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.4130606949329376},{"id":"https://openalex.org/keywords/substrate","display_name":"Substrate (aquarium)","score":0.411003053188324},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.32470425963401794},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.3207716643810272},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.3206467628479004},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2802474796772003},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.1996873915195465},{"id":"https://openalex.org/keywords/microbiology","display_name":"Microbiology","score":0.13681796193122864},{"id":"https://openalex.org/keywords/homology-modeling","display_name":"Homology modeling","score":0.10998165607452393}],"concepts":[{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.7910566329956055},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.6703168153762817},{"id":"https://openalex.org/C2780542935","wikidata":"https://www.wikidata.org/wiki/Q133841","display_name":"Leptospira","level":3,"score":0.6468544006347656},{"id":"https://openalex.org/C51323132","wikidata":"https://www.wikidata.org/wiki/Q626251","display_name":"High-throughput screening","level":2,"score":0.5874786376953125},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.5004019737243652},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.4924698770046234},{"id":"https://openalex.org/C193153401","wikidata":"https://www.wikidata.org/wiki/Q3859815","display_name":"MODELLER","level":4,"score":0.4324565827846527},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.4130606949329376},{"id":"https://openalex.org/C2777289219","wikidata":"https://www.wikidata.org/wiki/Q7632154","display_name":"Substrate (aquarium)","level":2,"score":0.411003053188324},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.32470425963401794},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3207716643810272},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3206467628479004},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2802474796772003},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.1996873915195465},{"id":"https://openalex.org/C89423630","wikidata":"https://www.wikidata.org/wiki/Q7193","display_name":"Microbiology","level":1,"score":0.13681796193122864},{"id":"https://openalex.org/C169627665","wikidata":"https://www.wikidata.org/wiki/Q5767913","display_name":"Homology modeling","level":3,"score":0.10998165607452393},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.0},{"id":"https://openalex.org/C18903297","wikidata":"https://www.wikidata.org/wiki/Q7150","display_name":"Ecology","level":1,"score":0.0},{"id":"https://openalex.org/C10389963","wikidata":"https://www.wikidata.org/wiki/Q848328","display_name":"Serotype","level":2,"score":0.0},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000595","descriptor_name":"Amino Acid Sequence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001426","descriptor_name":"Bacterial Proteins","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D001426","descriptor_name":"Bacterial Proteins","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D001426","descriptor_name":"Bacterial Proteins","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D004791","descriptor_name":"Enzyme Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D007919","descriptor_name":"Leptospira","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D007919","descriptor_name":"Leptospira","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D007919","descriptor_name":"Leptospira","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008969","descriptor_name":"Molecular Sequence Data","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D017386","descriptor_name":"Sequence Homology, Amino Acid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017386","descriptor_name":"Sequence Homology, Amino Acid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D017386","descriptor_name":"Sequence Homology, Amino Acid","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019747","descriptor_name":"Aldose-Ketose Isomerases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D019747","descriptor_name":"Aldose-Ketose Isomerases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D019747","descriptor_name":"Aldose-Ketose Isomerases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D020836","descriptor_name":"Protein Structure, Quaternary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020836","descriptor_name":"Protein Structure, Quaternary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D020836","descriptor_name":"Protein Structure, Quaternary","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057166","descriptor_name":"High-Throughput Screening Assays","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D057166","descriptor_name":"High-Throughput Screening Assays","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D057166","descriptor_name":"High-Throughput Screening Assays","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1016/s1672-0229(10)60026-5","is_oa":true,"landing_page_url":"https://doi.org/10.1016/s1672-0229(10)60026-5","pdf_url":"https://www.sciencedirect.com/science/article/pii/S1672022910600265/pdf","source":{"id":"https://openalex.org/S155547894","display_name":"Genomics Proteomics & Bioinformatics","issn_l":"1672-0229","issn":["1672-0229","2210-3244"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Genomics, Proteomics &amp; Bioinformatics","raw_type":"journal-article"},{"id":"pmid:21382593","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/21382593","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":"Genomics, proteomics & bioinformatics","raw_type":null},{"id":"pmh:oai:europepmc.org:4016514","is_oa":false,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/5054147","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"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":"Text"}],"best_oa_location":{"id":"doi:10.1016/s1672-0229(10)60026-5","is_oa":true,"landing_page_url":"https://doi.org/10.1016/s1672-0229(10)60026-5","pdf_url":"https://www.sciencedirect.com/science/article/pii/S1672022910600265/pdf","source":{"id":"https://openalex.org/S155547894","display_name":"Genomics Proteomics & Bioinformatics","issn_l":"1672-0229","issn":["1672-0229","2210-3244"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Genomics, Proteomics &amp; Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320320717","display_name":"Department of Biotechnology, Ministry of Science and Technology, India","ror":"https://ror.org/03tjsyq23"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2045677975.pdf","grobid_xml":"https://content.openalex.org/works/W2045677975.grobid-xml"},"referenced_works_count":52,"referenced_works":["https://openalex.org/W95014119","https://openalex.org/W1557136990","https://openalex.org/W1577514550","https://openalex.org/W1689761783","https://openalex.org/W1741359280","https://openalex.org/W1923743520","https://openalex.org/W1965517743","https://openalex.org/W1985588649","https://openalex.org/W1986191025","https://openalex.org/W1992192767","https://openalex.org/W1997487825","https://openalex.org/W2008807736","https://openalex.org/W2020039080","https://openalex.org/W2020432834","https://openalex.org/W2025993484","https://openalex.org/W2036997710","https://openalex.org/W2039796957","https://openalex.org/W2043756414","https://openalex.org/W2052987107","https://openalex.org/W2054762986","https://openalex.org/W2063899212","https://openalex.org/W2065283382","https://openalex.org/W2067913741","https://openalex.org/W2070407853","https://openalex.org/W2073811110","https://openalex.org/W2097382368","https://openalex.org/W2102528366","https://openalex.org/W2103764811","https://openalex.org/W2112752075","https://openalex.org/W2115853043","https://openalex.org/W2118891965","https://openalex.org/W2120061656","https://openalex.org/W2124162498","https://openalex.org/W2129649199","https://openalex.org/W2130479394","https://openalex.org/W2135416344","https://openalex.org/W2142692636","https://openalex.org/W2143427594","https://openalex.org/W2155873511","https://openalex.org/W2157801459","https://openalex.org/W2158714788","https://openalex.org/W2159482845","https://openalex.org/W2168016317","https://openalex.org/W4211039384","https://openalex.org/W4211105424","https://openalex.org/W4211184831","https://openalex.org/W4234317413","https://openalex.org/W4253009509","https://openalex.org/W4294216483","https://openalex.org/W6640118236","https://openalex.org/W6655457226","https://openalex.org/W6669190259"],"related_works":["https://openalex.org/W2059230675","https://openalex.org/W2376003823","https://openalex.org/W1491712617","https://openalex.org/W2594726310","https://openalex.org/W2355193834","https://openalex.org/W2907597838","https://openalex.org/W2614037532","https://openalex.org/W2014373272","https://openalex.org/W2006932476","https://openalex.org/W1996875960"],"abstract_inverted_index":{"The":[0,14,68,81,119],"life-threatening":[1],"infections":[2],"caused":[3],"by":[4],"Leptospira":[5],"serovars":[6],"demand":[7],"the":[8,42,59,105,126],"need":[9],"for":[10,29,134],"designing":[11],"anti-leptospirosis":[12,136],"drugs.":[13],"present":[15],"study":[16],"encompasses":[17],"exploring":[18],"inhibitors":[19,138],"against":[20],"phosphoheptose":[21],"isomerase":[22],"(GmhA)":[23],"of":[24,58,96,111],"Leptospira,":[25],"which":[26],"is":[27,34],"vital":[28],"lipopolysaccharide":[30],"(LPS)":[31],"biosynthesis":[32,141],"and":[33,55,78],"identified":[35],"as":[36],"a":[37,130],"common":[38],"drug":[39],"target":[40],"through":[41,74],"subtractive":[43],"genomic":[44],"approach.":[45],"GmhA":[46],"model":[47,61,70,120],"was":[48,62,72],"built":[49],"in":[50,87],"Modeller":[51],"9v7.":[52],"Structural":[53],"refinement":[54],"energy":[56],"minimization":[57],"predicted":[60],"carried":[63],"out":[64],"using":[65],"Maestro":[66],"9.0.":[67],"refined":[69],"reliability":[71],"assessed":[73],"Procheck,":[75],"ProSA,":[76],"ProQ":[77],"Profile":[79],"3D.":[80],"substrate-based":[82],"virtual":[83],"high-throughput":[84],"screening":[85],"(VHTS)":[86],"Ligand.":[88],"Info":[89],"Meta-Database":[90],"tool":[91],"generated":[92],"an":[93],"in-house":[94,106],"library":[95,107],"354":[97],"substrate":[98],"structural":[99],"analogs.":[100],"Furthermore,":[101],"structure-based":[102],"VHTS":[103,127],"from":[104,125],"with":[108,122],"different":[109],"conformations":[110],"each":[112],"ligand":[113],"provided":[114],"14":[115],"novel":[116],"competitive":[117,137],"inhibitors.":[118],"together":[121],"insight":[123],"gained":[124],"would":[128],"be":[129],"promising":[131],"starting":[132],"point":[133],"developing":[135],"targeting":[139],"LPS":[140],"pathway.":[142]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":4},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":4},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":6},{"year":2012,"cited_by_count":4}],"updated_date":"2026-08-01T09:00:35.917206","created_date":"2025-10-10T00:00:00"}