{"id":"https://openalex.org/W4416396392","doi":"https://doi.org/10.1016/j.rechem.2025.102888","title":"Synthetic optimization using RuPhos PdG4 catalyst in Suzuki\u2013Miyaura coupling reaction and bio-evaluation of 1,3,4-Oxadiazole derivatives as potential lung cancer agents","display_name":"Synthetic optimization using RuPhos PdG4 catalyst in Suzuki\u2013Miyaura coupling reaction and bio-evaluation of 1,3,4-Oxadiazole derivatives as potential lung cancer agents","publication_year":2025,"publication_date":"2025-11-01","ids":{"openalex":"https://openalex.org/W4416396392","doi":"https://doi.org/10.1016/j.rechem.2025.102888"},"language":"en","primary_location":{"id":"doi:10.1016/j.rechem.2025.102888","doi":"https://doi.org/10.1016/j.rechem.2025.102888","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.rechem.2025.102888","pdf_url":null,"source":{"id":"https://openalex.org/S4210212333","display_name":"Results in Chemistry","issn_l":"2211-7156","issn":["2211-7156"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","jufo-1","norway-1"],"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-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Results in Chemistry","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://doi.org/10.1016/j.rechem.2025.102888","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5107953530","display_name":"Deepak Kumar","orcid":"https://orcid.org/0009-0001-5682-4805","observed_orcids":["https://orcid.org/0009-0001-5682-4805"]},"institutions":[{"id":"https://openalex.org/I2800157045","display_name":"NIMS University","ror":"https://ror.org/05tw0x522","country_code":"IN","type":"education","lineage":["https://openalex.org/I2800157045"]},{"id":"https://openalex.org/I4210162011","display_name":"Jubilant Life Sciences (India)","ror":"https://ror.org/05sxgbh67","country_code":"IN","type":"company","lineage":["https://openalex.org/I4210162011"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Deepak Kumar","raw_affiliation_strings":["Department of Applied Sciences, Chemistry, NIMS University, Jaipur, India","Jubilant Biosys Ltd. Greater Noida (UP), 201310, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Sciences, Chemistry, NIMS University, Jaipur, India","institution_ids":["https://openalex.org/I2800157045"]},{"raw_affiliation_string":"Jubilant Biosys Ltd. Greater Noida (UP), 201310, India","institution_ids":["https://openalex.org/I4210162011"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032180675","display_name":"Mukesh Jangir","orcid":"https://orcid.org/0000-0001-8161-1177","observed_orcids":["https://orcid.org/0000-0001-8161-1177"]},"institutions":[{"id":"https://openalex.org/I2800157045","display_name":"NIMS University","ror":"https://ror.org/05tw0x522","country_code":"IN","type":"education","lineage":["https://openalex.org/I2800157045"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Mukesh Jangir","raw_affiliation_strings":["Department of Applied Sciences, Chemistry, NIMS University, Jaipur, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Sciences, Chemistry, NIMS University, Jaipur, India","institution_ids":["https://openalex.org/I2800157045"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5053755784","display_name":"Girish Chandra Sharma","orcid":"https://orcid.org/0009-0004-0708-1779","observed_orcids":["https://orcid.org/0009-0004-0708-1779"]},"institutions":[{"id":"https://openalex.org/I2800157045","display_name":"NIMS University","ror":"https://ror.org/05tw0x522","country_code":"IN","type":"education","lineage":["https://openalex.org/I2800157045"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Girish Chandra Sharma","raw_affiliation_strings":["Department of Applied Sciences, Chemistry, NIMS University, Jaipur, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Sciences, Chemistry, NIMS University, Jaipur, India","institution_ids":["https://openalex.org/I2800157045"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024612090","display_name":"Anupama Sharma","orcid":"https://orcid.org/0000-0003-0909-6670","observed_orcids":["https://orcid.org/0000-0003-0909-6670"]},"institutions":[{"id":"https://openalex.org/I2800157045","display_name":"NIMS University","ror":"https://ror.org/05tw0x522","country_code":"IN","type":"education","lineage":["https://openalex.org/I2800157045"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Anupama Sharma","raw_affiliation_strings":["Department of Research and innovation Cell, NIMS University, Jaipur, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Research and innovation Cell, NIMS University, Jaipur, India","institution_ids":["https://openalex.org/I2800157045"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Neeraj Kumar","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I2800157045","display_name":"NIMS University","ror":"https://ror.org/05tw0x522","country_code":"IN","type":"education","lineage":["https://openalex.org/I2800157045"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Neeraj Kumar","raw_affiliation_strings":["Department of Applied Sciences, Chemistry, NIMS University, Jaipur, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Applied Sciences, Chemistry, NIMS University, Jaipur, India","institution_ids":["https://openalex.org/I2800157045"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081522048","display_name":"Vivek Yadav","orcid":"https://orcid.org/0000-0003-2153-2391","observed_orcids":["https://orcid.org/0000-0003-2153-2391"]},"institutions":[{"id":"https://openalex.org/I39238937","display_name":"Delhi Pharmaceutical Science and Research University","ror":"https://ror.org/022akpv96","country_code":"IN","type":"education","lineage":["https://openalex.org/I39238937"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Vivek Yadav","raw_affiliation_strings":["Department of Pharmaceutical Chemistry, Delhi Pharmaceutical Sciences and Research University (DPSRU)7, Delhi 11001, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, Delhi Pharmaceutical Sciences and Research University (DPSRU)7, Delhi 11001, India","institution_ids":["https://openalex.org/I39238937"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5016388346","display_name":"Kanu Priya","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I74885063","display_name":"Sharda University","ror":"https://ror.org/03b6ffh07","country_code":"IN","type":"education","lineage":["https://openalex.org/I74885063"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Kanu Priya","raw_affiliation_strings":["Department of Life Science, Sharda school of Bioscience and Technology, Sharda University, Greater Noida, India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Life Science, Sharda school of Bioscience and Technology, Sharda University, Greater Noida, India","institution_ids":["https://openalex.org/I74885063"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5032180675"],"corresponding_institution_ids":["https://openalex.org/I2800157045"],"apc_list":{"value":1870,"currency":"USD","value_usd":1870},"apc_paid":{"value":1870,"currency":"USD","value_usd":1870},"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.1953132,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"18","issue":null,"first_page":"102888","last_page":"102888"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10548","display_name":"Catalytic Cross-Coupling Reactions","score":0.9541000127792358,"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/T10548","display_name":"Catalytic Cross-Coupling Reactions","score":0.9541000127792358,"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/T12410","display_name":"Structural and Chemical Analysis of Organic and Inorganic Compounds","score":0.013100000098347664,"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/T10274","display_name":"Synthesis and biological activity","score":0.008100000210106373,"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/1-3-4-oxadiazole-derivatives","display_name":"1,3,4-oxadiazole derivatives","score":0.9520000219345093},{"id":"https://openalex.org/keywords/suzuki-miyaura-coupling","display_name":"Suzuki coupling","score":0.9430000185966492},{"id":"https://openalex.org/keywords/palladium-catalysis","display_name":"palladium catalysis","score":0.9359999895095825},{"id":"https://openalex.org/keywords/gram-scale-synthesis","display_name":"gram-scale synthesis","score":0.7319999933242798},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.7900000214576721},{"id":"https://openalex.org/keywords/a549-cells","display_name":"A549 cells","score":0.8510000109672546},{"id":"https://openalex.org/keywords/cytotoxicity","display_name":"cytotoxicity","score":0.9829999804496765},{"id":"https://openalex.org/keywords/anticancer-agents","display_name":"anticancer agents","score":0.6890000104904175},{"id":"https://openalex.org/keywords/lead-compound-development","display_name":"lead compound development","score":0.48100000619888306}],"concepts":[{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.7567999958992004},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.6830999851226807},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.6202999949455261},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5023000240325928},{"id":"https://openalex.org/C502130503","wikidata":"https://www.wikidata.org/wiki/Q1089","display_name":"Palladium","level":3,"score":0.45089998841285706},{"id":"https://openalex.org/C109316439","wikidata":"https://www.wikidata.org/wiki/Q246181","display_name":"Cytotoxicity","level":3,"score":0.44279998540878296},{"id":"https://openalex.org/C2777752112","wikidata":"https://www.wikidata.org/wiki/Q903238","display_name":"Lead compound","level":3,"score":0.4404999911785126},{"id":"https://openalex.org/C2777289219","wikidata":"https://www.wikidata.org/wiki/Q7632154","display_name":"Substrate (aquarium)","level":2,"score":0.40639999508857727},{"id":"https://openalex.org/C65556437","wikidata":"https://www.wikidata.org/wiki/Q766195","display_name":"Protein Data Bank (RCSB PDB)","level":2,"score":0.39559999108314514},{"id":"https://openalex.org/C116073593","wikidata":"https://www.wikidata.org/wiki/Q864491","display_name":"Biological activity","level":3,"score":0.3901999890804291},{"id":"https://openalex.org/C3020442560","wikidata":"https://www.wikidata.org/wiki/Q4971815","display_name":"Broad spectrum","level":2,"score":0.38429999351501465},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.334199994802475},{"id":"https://openalex.org/C81729549","wikidata":"https://www.wikidata.org/wiki/Q4649475","display_name":"A549 cell","level":3,"score":0.31790000200271606},{"id":"https://openalex.org/C48424934","wikidata":"https://www.wikidata.org/wiki/Q898912","display_name":"Coupling reaction","level":3,"score":0.3176000118255615},{"id":"https://openalex.org/C2779744229","wikidata":"https://www.wikidata.org/wiki/Q7886","display_name":"Human lung","level":3,"score":0.3156000077724457},{"id":"https://openalex.org/C2776256026","wikidata":"https://www.wikidata.org/wiki/Q47912","display_name":"Lung cancer","level":2,"score":0.3149999976158142},{"id":"https://openalex.org/C114373084","wikidata":"https://www.wikidata.org/wiki/Q273499","display_name":"Chemical synthesis","level":3,"score":0.2996000051498413},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.2948000133037567},{"id":"https://openalex.org/C154317977","wikidata":"https://www.wikidata.org/wiki/Q376266","display_name":"Cytotoxic T cell","level":3,"score":0.27799999713897705},{"id":"https://openalex.org/C193042331","wikidata":"https://www.wikidata.org/wiki/Q1772003","display_name":"Structure\u2013activity relationship","level":3,"score":0.27559998631477356},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.2750000059604645},{"id":"https://openalex.org/C2991944050","wikidata":"https://www.wikidata.org/wiki/Q36534","display_name":"Reaction conditions","level":3,"score":0.2743000090122223},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.2572000026702881}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1016/j.rechem.2025.102888","doi":"https://doi.org/10.1016/j.rechem.2025.102888","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.rechem.2025.102888","pdf_url":null,"source":{"id":"https://openalex.org/S4210212333","display_name":"Results in Chemistry","issn_l":"2211-7156","issn":["2211-7156"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","jufo-1","norway-1"],"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-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Results in Chemistry","raw_type":"journal-article"},{"id":"pmh:oai:doaj.org/article:5f059b5ded314a61ab7d19544853a40f","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/5f059b5ded314a61ab7d19544853a40f","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":"Results in Chemistry, Vol 18, Iss , Pp 102888- (2025)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1016/j.rechem.2025.102888","doi":"https://doi.org/10.1016/j.rechem.2025.102888","is_oa":true,"landing_page_url":"https://doi.org/10.1016/j.rechem.2025.102888","pdf_url":null,"source":{"id":"https://openalex.org/S4210212333","display_name":"Results in Chemistry","issn_l":"2211-7156","issn":["2211-7156"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","jufo-1","norway-1"],"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-nc","license_id":"https://openalex.org/licenses/cc-by-nc","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Results in Chemistry","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.6240000128746033,"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3"}],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":17,"referenced_works":["https://openalex.org/W1964370181","https://openalex.org/W1989877933","https://openalex.org/W2031179451","https://openalex.org/W2036443792","https://openalex.org/W2056174424","https://openalex.org/W2060783559","https://openalex.org/W2114029809","https://openalex.org/W2142472124","https://openalex.org/W2173466269","https://openalex.org/W2317571056","https://openalex.org/W2952082311","https://openalex.org/W3087214758","https://openalex.org/W3106776149","https://openalex.org/W3111258657","https://openalex.org/W4389663341","https://openalex.org/W4405663823","https://openalex.org/W4408078616"],"related_works":[],"abstract_inverted_index":{"1,3,4-Oxadiazole":[0],"is":[1,46],"a":[2,41,157,179,214],"well-recognized":[3],"scaffold":[4],"in":[5],"medicinal":[6],"chemistry":[7],"due":[8,186],"to":[9,48,56,99,187],"its":[10,188,211],"broad":[11,42],"spectrum":[12],"of":[13,68,151,163,175,207,220],"biological":[14,205],"activities.":[15],"In":[16],"this":[17],"study,":[18],"we":[19],"report":[20],"an":[21,148],"efficient":[22,197],"RuPhos":[23,176],"Pd":[24],"G4-catalyzed":[25],"Suzuki\u2013Miyaura":[26],"cross-coupling":[27],"methodology":[28,155],"for":[29,62,118,160,217],"functionalizing":[30],"1,3,4-oxadiazole":[31],"substrates.":[32],"The":[33,66,203],"developed":[34],"protocol":[35],"offers":[36,156,178],"high":[37,192],"yields,":[38],"clean":[39],"reactions,":[40],"substrate":[43],"scope,":[44],"and":[45,85,94,142,172,196],"amenable":[47],"gram-scale":[49],"synthesis.":[50],"This":[51,154],"approach":[52],"provides":[53],"facile":[54],"access":[55],"novel,":[57],"biologically":[58],"relevant":[59],"derivatives":[60,167],"suitable":[61],"further":[63],"pharmacological":[64],"exploration.":[65],"structures":[67],"all":[69],"synthesized":[70],"compounds":[71,88,114],"were":[72,97,115],"confirmed":[73],"using":[74],"standard":[75],"spectroscopic":[76],"techniques,":[77],"including":[78],"1":[79],"H":[80],"NMR,":[81,84],"13":[82],"C":[83],"HRMS.":[86],"Selected":[87],"(":[89],"1b,":[90],"1c,":[91],"1f":[92],",":[93],"1q":[95],")":[96],"subjected":[98],"molecular":[100],"docking":[101,135],"studies":[102],"against":[103,122],"the":[104,132,161,169,173,218],"protein":[105],"target":[106],"with":[107,147,168],"PDB":[108],"ID:":[109],"3OW4":[110],".":[111],"These":[112],"four":[113],"also":[116],"evaluated":[117],"their":[119],"cytotoxic":[120,145],"effects":[121],"A549":[123],"lung":[124,225],"cancer":[125],"cell":[126],"lines,":[127],"where":[128],"compound":[129,208,216],"1c":[130,209],"exhibited":[131],"most":[133],"favorable":[134,139],"score":[136],"(\u22127.296),":[137],"indicating":[138],"binding":[140],"affinity":[141],"demonstrated":[143],"highest":[144],"effect,":[146],"IC\u2085\u2080":[149],"value":[150],"28.49":[152],"\u03bcM.":[153],"valuable":[158],"tool":[159],"synthesis":[162],"structurally":[164],"diverse":[165],"oxadiazole":[166],"optimization":[170],"conditions":[171],"use":[174],"PdG4":[177],"distinct":[180],"advantage":[181],"over":[182],"conventional":[183],"palladium":[184],"catalysts":[185],"enhanced":[189],"catalytic":[190],"activity,":[191],"functional":[193],"group":[194],"tolerance,":[195],"performance":[198],"under":[199],"mild":[200],"reaction":[201],"conditions.":[202],"promising":[204],"activity":[206],"suggests":[210],"potential":[212],"as":[213],"lead":[215],"development":[219],"novel":[221],"therapeutic":[222],"agents":[223],"targeting":[224],"cancer.":[226]},"counts_by_year":[],"updated_date":"2026-10-01T08:54:57.152042","created_date":"2025-11-20T00:00:00"}
