{"id":"https://openalex.org/W2152244561","doi":"https://doi.org/10.1021/ci600364b","title":"Evaluation of <i>Pseudomonas aeruginosa</i> Deacetylase LpxC Inhibitory Activity of Dual PDE4\u2212TNF\u03b1 Inhibitors:\u2009 A Multiscreening Approach","display_name":"Evaluation of <i>Pseudomonas aeruginosa</i> Deacetylase LpxC Inhibitory Activity of Dual PDE4\u2212TNF\u03b1 Inhibitors:\u2009 A Multiscreening Approach","publication_year":2007,"publication_date":"2007-04-26","ids":{"openalex":"https://openalex.org/W2152244561","doi":"https://doi.org/10.1021/ci600364b","mag":"2152244561","pmid":"https://pubmed.ncbi.nlm.nih.gov/17458951"},"language":"en","primary_location":{"id":"doi:10.1021/ci600364b","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci600364b","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5061423970","display_name":"Rameshwar U. Kadam","orcid":"https://orcid.org/0000-0002-1612-9250"},"institutions":[{"id":"https://openalex.org/I4210146715","display_name":"National Institute of Pharmaceutical Education and Research","ror":"https://ror.org/040dgqr26","country_code":"IN","type":"education","lineage":["https://openalex.org/I4210146715"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Rameshwar U. Kadam","raw_affiliation_strings":["Centre of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S Nagar-160 062, Punjab, India"],"affiliations":[{"raw_affiliation_string":"Centre of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S Nagar-160 062, Punjab, India","institution_ids":["https://openalex.org/I4210146715"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062057905","display_name":"Divita Garg","orcid":null},"institutions":[{"id":"https://openalex.org/I4210146715","display_name":"National Institute of Pharmaceutical Education and Research","ror":"https://ror.org/040dgqr26","country_code":"IN","type":"education","lineage":["https://openalex.org/I4210146715"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Divita Garg","raw_affiliation_strings":["Centre of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S Nagar-160 062, Punjab, India"],"affiliations":[{"raw_affiliation_string":"Centre of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S Nagar-160 062, Punjab, India","institution_ids":["https://openalex.org/I4210146715"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064945338","display_name":"Archana G. Chavan","orcid":"https://orcid.org/0000-0002-5691-8094"},"institutions":[{"id":"https://openalex.org/I4210146715","display_name":"National Institute of Pharmaceutical Education and Research","ror":"https://ror.org/040dgqr26","country_code":"IN","type":"education","lineage":["https://openalex.org/I4210146715"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Archana Chavan","raw_affiliation_strings":["Centre of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S Nagar-160 062, Punjab, India"],"affiliations":[{"raw_affiliation_string":"Centre of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S Nagar-160 062, Punjab, India","institution_ids":["https://openalex.org/I4210146715"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5002288405","display_name":"Nilanjan Roy","orcid":"https://orcid.org/0000-0001-8788-7350"},"institutions":[{"id":"https://openalex.org/I4210146715","display_name":"National Institute of Pharmaceutical Education and Research","ror":"https://ror.org/040dgqr26","country_code":"IN","type":"education","lineage":["https://openalex.org/I4210146715"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Nilanjan Roy","raw_affiliation_strings":["Centre of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S Nagar-160 062, Punjab, India"],"affiliations":[{"raw_affiliation_string":"Centre of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, Sector 67, S.A.S Nagar-160 062, Punjab, India","institution_ids":["https://openalex.org/I4210146715"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5061423970"],"corresponding_institution_ids":["https://openalex.org/I4210146715"],"apc_list":null,"apc_paid":null,"fwci":1.4943,"has_fulltext":false,"cited_by_count":13,"citation_normalized_percentile":{"value":0.82686919,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"47","issue":"3","first_page":"1188","last_page":"1195"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12023","display_name":"Cholinesterase and Neurodegenerative Diseases","score":0.9973000288009644,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"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/T12023","display_name":"Cholinesterase and Neurodegenerative Diseases","score":0.9973000288009644,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.996399998664856,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12434","display_name":"Phosphodiesterase function and regulation","score":0.993399977684021,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/pseudomonas-aeruginosa","display_name":"Pseudomonas aeruginosa","score":0.7518670558929443},{"id":"https://openalex.org/keywords/inhibitory-postsynaptic-potential","display_name":"Inhibitory postsynaptic potential","score":0.6941249370574951},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.6160325407981873},{"id":"https://openalex.org/keywords/dual","display_name":"Dual (grammatical number)","score":0.44209024310112},{"id":"https://openalex.org/keywords/microbiology","display_name":"Microbiology","score":0.4303516745567322},{"id":"https://openalex.org/keywords/tumor-necrosis-factor-alpha","display_name":"Tumor necrosis factor alpha","score":0.4180014133453369},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.37885648012161255},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.2391747236251831},{"id":"https://openalex.org/keywords/bacteria","display_name":"Bacteria","score":0.22480374574661255},{"id":"https://openalex.org/keywords/immunology","display_name":"Immunology","score":0.17049920558929443},{"id":"https://openalex.org/keywords/endocrinology","display_name":"Endocrinology","score":0.07492655515670776},{"id":"https://openalex.org/keywords/art","display_name":"Art","score":0.04809263348579407}],"concepts":[{"id":"https://openalex.org/C2777637488","wikidata":"https://www.wikidata.org/wiki/Q31856","display_name":"Pseudomonas aeruginosa","level":3,"score":0.7518670558929443},{"id":"https://openalex.org/C17077164","wikidata":"https://www.wikidata.org/wiki/Q1185869","display_name":"Inhibitory postsynaptic potential","level":2,"score":0.6941249370574951},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6160325407981873},{"id":"https://openalex.org/C2780980858","wikidata":"https://www.wikidata.org/wiki/Q110022","display_name":"Dual (grammatical number)","level":2,"score":0.44209024310112},{"id":"https://openalex.org/C89423630","wikidata":"https://www.wikidata.org/wiki/Q7193","display_name":"Microbiology","level":1,"score":0.4303516745567322},{"id":"https://openalex.org/C17991360","wikidata":"https://www.wikidata.org/wiki/Q21173843","display_name":"Tumor necrosis factor alpha","level":2,"score":0.4180014133453369},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.37885648012161255},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.2391747236251831},{"id":"https://openalex.org/C523546767","wikidata":"https://www.wikidata.org/wiki/Q10876","display_name":"Bacteria","level":2,"score":0.22480374574661255},{"id":"https://openalex.org/C203014093","wikidata":"https://www.wikidata.org/wiki/Q101929","display_name":"Immunology","level":1,"score":0.17049920558929443},{"id":"https://openalex.org/C134018914","wikidata":"https://www.wikidata.org/wiki/Q162606","display_name":"Endocrinology","level":1,"score":0.07492655515670776},{"id":"https://openalex.org/C142362112","wikidata":"https://www.wikidata.org/wiki/Q735","display_name":"Art","level":0,"score":0.04809263348579407},{"id":"https://openalex.org/C124952713","wikidata":"https://www.wikidata.org/wiki/Q8242","display_name":"Literature","level":1,"score":0.0},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000581","descriptor_name":"Amidohydrolases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D000581","descriptor_name":"Amidohydrolases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D000581","descriptor_name":"Amidohydrolases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D000581","descriptor_name":"Amidohydrolases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000581","descriptor_name":"Amidohydrolases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000581","descriptor_name":"Amidohydrolases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D000581","descriptor_name":"Amidohydrolases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000581","descriptor_name":"Amidohydrolases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000581","descriptor_name":"Amidohydrolases","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D004353","descriptor_name":"Drug Evaluation, Preclinical","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","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":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011550","descriptor_name":"Pseudomonas aeruginosa","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D011550","descriptor_name":"Pseudomonas aeruginosa","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D011550","descriptor_name":"Pseudomonas aeruginosa","qualifier_ui":"Q000201","qualifier_name":"enzymology","is_major_topic":false},{"descriptor_ui":"D014409","descriptor_name":"Tumor Necrosis Factor-alpha","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D014409","descriptor_name":"Tumor Necrosis Factor-alpha","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D014409","descriptor_name":"Tumor Necrosis Factor-alpha","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D015105","descriptor_name":"3',5'-Cyclic-AMP Phosphodiesterases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D015105","descriptor_name":"3',5'-Cyclic-AMP Phosphodiesterases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D015105","descriptor_name":"3',5'-Cyclic-AMP Phosphodiesterases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015394","descriptor_name":"Molecular Structure","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019707","descriptor_name":"Receptors, Chemokine","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019707","descriptor_name":"Receptors, Chemokine","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019707","descriptor_name":"Receptors, Chemokine","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D054703","descriptor_name":"Cyclic Nucleotide Phosphodiesterases, Type 4","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D054703","descriptor_name":"Cyclic Nucleotide Phosphodiesterases, Type 4","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D054703","descriptor_name":"Cyclic Nucleotide Phosphodiesterases, Type 4","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci600364b","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci600364b","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:17458951","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/17458951","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":"Journal of chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.47999998927116394,"id":"https://metadata.un.org/sdg/6","display_name":"Clean water and sanitation"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":10,"referenced_works":["https://openalex.org/W1970882309","https://openalex.org/W1985767786","https://openalex.org/W1995168056","https://openalex.org/W1998882109","https://openalex.org/W2017800476","https://openalex.org/W2024723810","https://openalex.org/W2041602210","https://openalex.org/W2075327284","https://openalex.org/W2083704388","https://openalex.org/W2087943008"],"related_works":["https://openalex.org/W2799529293","https://openalex.org/W406616055","https://openalex.org/W3214394573","https://openalex.org/W3084162811","https://openalex.org/W3093457988","https://openalex.org/W2122116421","https://openalex.org/W3024947463","https://openalex.org/W2171660964","https://openalex.org/W2764329203","https://openalex.org/W2107741098"],"abstract_inverted_index":{"In":[0],"this":[1],"study,":[2],"we":[3],"have":[4,84],"focused":[5],"on":[6,43,105],"the":[7,14,44,75,79,88,106,111],"implication":[8],"of":[9,16,23,46,100],"a":[10,137],"multiscreening":[11,138],"approach":[12],"in":[13,92],"evaluation":[15],"Pseudomonas":[17],"aeruginosa":[18],"deacetylase":[19],"LpxC":[20,41,94,107,147],"inhibitory":[21],"activity":[22,49,86],"dual":[24],"PDE4-TNFalpha":[25,61],"inhibitors.":[26],"A":[27,97],"genetic":[28],"function":[29],"approximation":[30],"(GFA)":[31],"directed":[32],"quantitative":[33],"structure-activity":[34],"relationship":[35],"(QSAR)":[36],"model":[37,109],"was":[38,140],"developed":[39],"for":[40,146],"inhibition":[42],"basis":[45],"reported":[47,60,93],"biological":[48],"(Kline":[50],"and":[51,64,124,132],"Andersen,":[52],"J.":[53,66],"Med.":[54,67],"Chem.":[55,68],"2002,":[56],"45,":[57],"3112-3129).":[58],"Subsequently,":[59],"inhibitors":[62],"(Klienman":[63],"Campbell,":[65],"1998,":[69],"41,":[70],"266-270)":[71],"were":[72,81,116],"screened":[73],"using":[74,119],"QSAR":[76],"model.":[77],"Whereby,":[78],"compounds":[80,102,115],"predicted":[82],"to":[83,126,142],"equipotent":[85],"with":[87],"most":[89],"potent":[90],"compound":[91],"inhibitor":[95],"series.":[96],"docking":[98],"analysis":[99,123],"these":[101],"carried":[103],"out":[104],"homology":[108],"corroborated":[110],"initial":[112],"results.":[113],"The":[114],"then":[117],"validated":[118],"surface":[120],"electronic":[121],"properties":[122],"subjected":[125],"an":[127],"adsorption,":[128],"distribution,":[129],"metabolism,":[130],"excretion,":[131],"toxicity":[133],"filter.":[134],"Taken":[135],"together,":[136],"strategy":[139],"used":[141],"validate":[143],"potential":[144],"leads":[145],"inhibition.":[148]},"counts_by_year":[{"year":2023,"cited_by_count":2},{"year":2018,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2013,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2016-06-24T00:00:00"}