{"id":"https://openalex.org/W7204199939","doi":"https://doi.org/10.3390/ijms27177605","title":"Thiazole-Substituted Benzoylpiperazines with Anti-Cancer and Anti-Inflammatory Activities: Comparative Evaluation with Lercanidipine","display_name":"Thiazole-Substituted Benzoylpiperazines with Anti-Cancer and Anti-Inflammatory Activities: Comparative Evaluation with Lercanidipine","publication_year":2026,"publication_date":"2026-08-25","ids":{"openalex":"https://openalex.org/W7204199939","doi":"https://doi.org/10.3390/ijms27177605","pmid":"https://pubmed.ncbi.nlm.nih.gov/42737505"},"language":"en","primary_location":{"id":"doi:10.3390/ijms27177605","doi":"https://doi.org/10.3390/ijms27177605","is_oa":true,"landing_page_url":"https://doi.org/10.3390/ijms27177605","pdf_url":null,"source":{"id":"https://openalex.org/S10623703","display_name":"International Journal of Molecular Sciences","issn_l":"1422-0067","issn":["1422-0067","1661-6596"],"is_oa":true,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","medline","poland-140","russia-white-list-1","vabb-shw"],"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":"International Journal of Molecular Sciences","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.3390/ijms27177605","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5029275257","display_name":"Sevde Nur Biltekin","orcid":"https://orcid.org/0000-0003-1896-2729","observed_orcids":["https://orcid.org/0000-0003-1896-2729"]},"institutions":[{"id":"https://openalex.org/I3125470973","display_name":"Istanbul Medipol University","ror":"https://ror.org/037jwzz50","country_code":"TR","type":"education","lineage":["https://openalex.org/I3125470973"]}],"countries":["TR"],"is_corresponding":true,"raw_author_name":"Sevde Nur Biltekin Kaleli","raw_affiliation_strings":["Department of Pharmaceutical Microbiology, School of Pharmacy, Istanbul Medipol University,\u00a034810 Istanbul, T\u00fcrkiye"],"raw_orcid":"https://orcid.org/0000-0003-1896-2729","affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Microbiology, School of Pharmacy, Istanbul Medipol University,\u00a034810 Istanbul, T\u00fcrkiye","institution_ids":["https://openalex.org/I3125470973"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5029275257"],"corresponding_institution_ids":["https://openalex.org/I3125470973"],"apc_list":{"value":2900,"currency":"CHF","value_usd":3499},"apc_paid":{"value":2900,"currency":"CHF","value_usd":3499},"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.57266524,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"27","issue":"17","first_page":"7605","last_page":"7605"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10274","display_name":"Synthesis and biological activity","score":0.9965999722480774,"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"}},"topics":[{"id":"https://openalex.org/T10274","display_name":"Synthesis and biological activity","score":0.9965999722480774,"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"}},{"id":"https://openalex.org/T14099","display_name":"Synthesis and Characterization of Heterocyclic Compounds","score":0.001500000013038516,"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"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.00139999995008111,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/lercanidipine","display_name":"lercanidipine","score":0.9150000214576721},{"id":"https://openalex.org/keywords/p38alpha-mapk","display_name":"p38\u03b1 MAPK","score":0.8399999737739563},{"id":"https://openalex.org/keywords/cytotoxicity","display_name":"cytotoxicity","score":0.8410000205039978},{"id":"https://openalex.org/keywords/anti-inflammatory-activity","display_name":"anti-inflammatory activity","score":0.949999988079071},{"id":"https://openalex.org/keywords/anti-tnf-therapy","display_name":"anti-TNF therapy","score":0.9309999942779541},{"id":"https://openalex.org/keywords/caspase-3","display_name":"caspase-3","score":0.9139999747276306},{"id":"https://openalex.org/keywords/caspase-8","display_name":"caspase-8","score":0.9990000128746033},{"id":"https://openalex.org/keywords/cisplatin-combination-therapy","display_name":"cisplatin combination therapy","score":0.6769999861717224},{"id":"https://openalex.org/keywords/sh-sy5y-cells","display_name":"SH-SY5Y cells","score":0.9020000100135803},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.8510000109672546},{"id":"https://openalex.org/keywords/sb203580","display_name":"SB203580","score":0.8379999995231628},{"id":"https://openalex.org/keywords/anticancer-agents","display_name":"anticancer agents","score":0.48100000619888306},{"id":"https://openalex.org/keywords/molecular-target-identification","display_name":"molecular target identification","score":0.574999988079071}],"concepts":[{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.715399980545044},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.5809000134468079},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.567799985408783},{"id":"https://openalex.org/C57992300","wikidata":"https://www.wikidata.org/wiki/Q2066956","display_name":"Potency","level":3,"score":0.5386999845504761},{"id":"https://openalex.org/C154317977","wikidata":"https://www.wikidata.org/wiki/Q376266","display_name":"Cytotoxic T cell","level":3,"score":0.5231000185012817},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.4659999907016754},{"id":"https://openalex.org/C2780783641","wikidata":"https://www.wikidata.org/wiki/Q738686","display_name":"MTT assay","level":3,"score":0.4269999861717224},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.4009999930858612},{"id":"https://openalex.org/C109316439","wikidata":"https://www.wikidata.org/wiki/Q246181","display_name":"Cytotoxicity","level":3,"score":0.3889000117778778},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.3871999979019165},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.3765999972820282},{"id":"https://openalex.org/C2777752112","wikidata":"https://www.wikidata.org/wiki/Q903238","display_name":"Lead compound","level":3,"score":0.3345000147819519},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.32420000433921814},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.3142000138759613},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.3052999973297119},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.2964000105857849},{"id":"https://openalex.org/C57074206","wikidata":"https://www.wikidata.org/wiki/Q14197552","display_name":"MAPK/ERK pathway","level":3,"score":0.29490000009536743},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.2856000065803528},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.2824000120162964},{"id":"https://openalex.org/C2778239845","wikidata":"https://www.wikidata.org/wiki/Q412415","display_name":"Cisplatin","level":3,"score":0.2741999924182892}],"mesh":[{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000893","descriptor_name":"Anti-Inflammatory Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000893","descriptor_name":"Anti-Inflammatory Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000893","descriptor_name":"Anti-Inflammatory Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000893","descriptor_name":"Anti-Inflammatory Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D004095","descriptor_name":"Dihydropyridines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D004095","descriptor_name":"Dihydropyridines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D004095","descriptor_name":"Dihydropyridines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D004095","descriptor_name":"Dihydropyridines","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":"D010879","descriptor_name":"Piperazines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D010879","descriptor_name":"Piperazines","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D010879","descriptor_name":"Piperazines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010879","descriptor_name":"Piperazines","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013844","descriptor_name":"Thiazoles","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D013844","descriptor_name":"Thiazoles","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D013844","descriptor_name":"Thiazoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D013844","descriptor_name":"Thiazoles","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D014409","descriptor_name":"Tumor Necrosis Factor-alpha","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D014409","descriptor_name":"Tumor Necrosis Factor-alpha","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D017209","descriptor_name":"Apoptosis","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D017209","descriptor_name":"Apoptosis","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D045744","descriptor_name":"Cell Line, Tumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D045744","descriptor_name":"Cell Line, Tumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D048051","descriptor_name":"p38 Mitogen-Activated Protein Kinases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D048051","descriptor_name":"p38 Mitogen-Activated Protein Kinases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","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":3,"locations":[{"id":"doi:10.3390/ijms27177605","doi":"https://doi.org/10.3390/ijms27177605","is_oa":true,"landing_page_url":"https://doi.org/10.3390/ijms27177605","pdf_url":null,"source":{"id":"https://openalex.org/S10623703","display_name":"International Journal of Molecular Sciences","issn_l":"1422-0067","issn":["1422-0067","1661-6596"],"is_oa":true,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","medline","poland-140","russia-white-list-1","vabb-shw"],"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":"International Journal of Molecular Sciences","raw_type":"journal-article"},{"id":"pmid:42737505","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/42737505","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":"International journal of molecular sciences","raw_type":"Journal Article"},{"id":"pmh:oai:pubmedcentral.nih.gov:13566115","doi":null,"is_oa":true,"landing_page_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC13566115/","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC13566115/pdf/ijms-27-07605.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":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Int J Mol Sci","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.3390/ijms27177605","doi":"https://doi.org/10.3390/ijms27177605","is_oa":true,"landing_page_url":"https://doi.org/10.3390/ijms27177605","pdf_url":null,"source":{"id":"https://openalex.org/S10623703","display_name":"International Journal of Molecular Sciences","issn_l":"1422-0067","issn":["1422-0067","1661-6596"],"is_oa":true,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","medline","poland-140","russia-white-list-1","vabb-shw"],"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":"International Journal of Molecular Sciences","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.9789000153541565}],"sustainable_development_goals_aurora":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.5310173034667969}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":47,"referenced_works":["https://openalex.org/W1881061730","https://openalex.org/W1933175373","https://openalex.org/W2009625709","https://openalex.org/W2028046413","https://openalex.org/W2037951556","https://openalex.org/W2077472192","https://openalex.org/W2105668062","https://openalex.org/W2116087305","https://openalex.org/W2134967712","https://openalex.org/W2168401599","https://openalex.org/W2264719596","https://openalex.org/W2463424426","https://openalex.org/W2541248989","https://openalex.org/W2611121922","https://openalex.org/W2633470271","https://openalex.org/W2733951407","https://openalex.org/W2807721837","https://openalex.org/W2897040802","https://openalex.org/W2950417160","https://openalex.org/W2997313217","https://openalex.org/W3013211556","https://openalex.org/W3094572491","https://openalex.org/W3094650086","https://openalex.org/W3120413637","https://openalex.org/W3164508239","https://openalex.org/W3165414691","https://openalex.org/W3168436232","https://openalex.org/W3180318918","https://openalex.org/W3180992221","https://openalex.org/W4200339324","https://openalex.org/W4224145586","https://openalex.org/W4228999961","https://openalex.org/W4243688663","https://openalex.org/W4283800622","https://openalex.org/W4385768711","https://openalex.org/W4386833020","https://openalex.org/W4394689863","https://openalex.org/W4399591782","https://openalex.org/W4401463922","https://openalex.org/W4401991602","https://openalex.org/W4403131541","https://openalex.org/W4403703799","https://openalex.org/W4410029220","https://openalex.org/W4417316369","https://openalex.org/W7130645219","https://openalex.org/W7153627326","https://openalex.org/W7161233128"],"related_works":[],"abstract_inverted_index":{"Lercanidipine":[0],"has":[1],"previously":[2],"been":[3],"investigated":[4],"in":[5,12,52,77,189,192,206,209,251],"our":[6],"laboratory":[7],"as":[8,102,107,197,241],"a":[9,17,153,172,198,218,242],"reference":[10],"compound":[11],"cancer-related":[13],"combination":[14,78,87,103],"studies,":[15],"providing":[16],"comparative":[18],"framework":[19],"for":[20,248],"the":[21,28,33,48,59,65,70,86,94,131,148,180,226,229],"present":[22,29],"evaluation":[23,113],"of":[24,40,47,109,136,156,174,202,222,234,245],"thiazole-substituted":[25,41,235],"benzoylpiperazines.":[26],"In":[27,83],"study,":[30],"we":[31],"evaluated":[32,51,76,101],"cytotoxic,":[34],"anti-inflammatory,":[35],"and":[36,73,81,124,127,159,165,177,191,208,231,237],"p38\u03b1":[37,120,149,214],"MAPK-related":[38],"activities":[39,233],"benzoylpiperazine":[42],"derivatives.":[43],"The":[44,167],"cytotoxic":[45,67,91,230],"profiles":[46],"derivatives":[49,72,132],"were":[50,100],"multiple":[53],"human":[54],"cancer":[55],"cell":[56],"lines":[57],"using":[58],"MTT":[60],"assay.":[61],"Compound":[62,117,203,223,239],"29":[63,118,240],"showed":[64,171],"highest":[66],"potency":[68],"among":[69],"tested":[71],"was":[74],"further":[75,114,249],"with":[79,139,162,185],"cisplatin":[80],"lercanidipine.":[82],"SH-SY5Y":[84],"cells,":[85],"treatments":[88],"produced":[89,152],"greater":[90],"effects":[92,104,142],"than":[93,106],"corresponding":[95],"monotherapies;":[96],"however,":[97],"these":[98],"findings":[99,194,211,227],"rather":[105],"evidence":[108],"pharmacological":[110],"synergy.":[111],"Mechanistic":[112],"revealed":[115,160],"that":[116,213],"inhibited":[119],"MAPK":[121,215],"enzyme":[122],"activity":[123],"increased":[125],"caspase-3":[126],"caspase-8":[128],"activities.":[129],"Furthermore,":[130],"exhibited":[133],"dose-dependent":[134],"inhibition":[135],"TNF-\u03b1":[137],"production,":[138],"statistically":[140],"significant":[141],"at":[143],"increasing":[144],"concentrations.":[145],"Docking":[146],"into":[147],"ATP-binding":[150],"pocket":[151],"Vina":[154],"score":[155,173],"\u22128.749":[157],"kcal/mol":[158,176],"interactions":[161],"Tyr35,":[163],"Lys53,":[164],"Asp168.":[166],"co-crystallized":[168],"inhibitor":[169],"SB203580":[170],"\u22129.347":[175],"additionally":[178],"formed":[179],"canonical":[181],"hinge":[182],"hydrogen":[183],"bond":[184],"Met109.":[186],"These":[187,205],"complementary":[188],"vitro":[190,207],"silico":[193,210],"support":[195],"p38MAPK":[196],"plausible":[199],"molecular":[200,220],"target":[201,221],"29.":[204,224],"suggest":[212],"may":[216],"represent":[217],"potential":[219],"Overall,":[225],"demonstrate":[228],"anti-inflammatory":[232],"benzoylpiperazines":[236],"identify":[238],"potent":[243],"member":[244],"this":[246],"series":[247],"investigation":[250],"vitro.":[252]},"counts_by_year":[],"updated_date":"2026-10-08T09:06:37.294493","created_date":"2026-08-26T00:00:00"}