{"id":"https://openalex.org/W4410092205","doi":"https://doi.org/10.46602/jcsn.v50i2.1062","title":"SYNTHESIS, CHARACTERIZATION, MOLECULAR DOCKING, AND COMPUTATIONAL STUDY OF SCHIFF BASE LIGAND DERIVED FROM 4-AMINOANTIPRINE AND 2-AMINOPHENOL AND ITS Nd (III), Sm(III), Gd (III) and Dy (III) COMPLEXES","display_name":"SYNTHESIS, CHARACTERIZATION, MOLECULAR DOCKING, AND COMPUTATIONAL STUDY OF SCHIFF BASE LIGAND DERIVED FROM 4-AMINOANTIPRINE AND 2-AMINOPHENOL AND ITS Nd (III), Sm(III), Gd (III) and Dy (III) COMPLEXES","publication_year":2025,"publication_date":"2025-05-05","ids":{"openalex":"https://openalex.org/W4410092205","doi":"https://doi.org/10.46602/jcsn.v50i2.1062"},"language":"en","primary_location":{"id":"doi:10.46602/jcsn.v50i2.1062","doi":"https://doi.org/10.46602/jcsn.v50i2.1062","is_oa":true,"landing_page_url":"https://doi.org/10.46602/jcsn.v50i2.1062","pdf_url":"https://journals.chemsociety.org.ng/index.php/jcsn/article/download/1062/1140","source":{"id":"https://openalex.org/S4210225888","display_name":"Journal of Chemical Society of Nigeria","issn_l":"0795-2066","issn":["0795-2066","2734-2441"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":["jpps-1"],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Society of Nigeria","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"diamond","oa_url":"https://journals.chemsociety.org.ng/index.php/jcsn/article/download/1062/1140","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5064859551","display_name":"Ngozi Patricia Ebosie","orcid":"https://orcid.org/0000-0002-0701-2085","observed_orcids":["https://orcid.org/0000-0002-0701-2085"]},"institutions":[{"id":"https://openalex.org/I166934088","display_name":"Imo State University","ror":"https://ror.org/0257ekp23","country_code":"NG","type":"education","lineage":["https://openalex.org/I166934088"]},{"id":"https://openalex.org/I26092322","display_name":"Stellenbosch University","ror":"https://ror.org/05bk57929","country_code":"ZA","type":"education","lineage":["https://openalex.org/I26092322"]}],"countries":["NG","ZA"],"is_corresponding":true,"raw_author_name":"N. P. Ebosie","raw_affiliation_strings":["Chemistry and Polymer Science , Stellenbosch University , Stellenbosch , Western Cape , South Africa","Department of Chemistry , Imo State University , Owerri , Imo State , Nigeria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry and Polymer Science , Stellenbosch University , Stellenbosch , Western Cape , South Africa","institution_ids":["https://openalex.org/I26092322"]},{"raw_affiliation_string":"Department of Chemistry , Imo State University , Owerri , Imo State , Nigeria","institution_ids":["https://openalex.org/I166934088"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5064859551"],"corresponding_institution_ids":["https://openalex.org/I166934088","https://openalex.org/I26092322"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"50","issue":"2","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11279","display_name":"Lanthanide and Transition Metal Complexes","score":0.8560000061988831,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11279","display_name":"Lanthanide and Transition Metal Complexes","score":0.8560000061988831,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10163","display_name":"Metal complexes synthesis and properties","score":0.1242000013589859,"subfield":{"id":"https://openalex.org/subfields/2730","display_name":"Oncology"},"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/T11746","display_name":"Inorganic and Organometallic Chemistry","score":0.007499999832361937,"subfield":{"id":"https://openalex.org/subfields/1604","display_name":"Inorganic 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/schiff-base-ligands","display_name":"Schiff base ligands","score":0.9919999837875366},{"id":"https://openalex.org/keywords/4-aminoantipyrine","display_name":"4-aminoantipyrine","score":0.9919999837875366},{"id":"https://openalex.org/keywords/2-aminophenol","display_name":"o-aminophenol","score":0.9990000128746033},{"id":"https://openalex.org/keywords/lanthanide-complexes","display_name":"lanthanide complexes","score":0.9049999713897705},{"id":"https://openalex.org/keywords/neodymium-iii-complexes","display_name":"neodymium(III) complexes","score":0.8840000033378601},{"id":"https://openalex.org/keywords/samarium-iii-complexes","display_name":"samarium(III) complexes","score":1.0},{"id":"https://openalex.org/keywords/gadolinium-iii-complexes","display_name":"gadolinium(III) complexes","score":1.0},{"id":"https://openalex.org/keywords/dysprosium-iii-complexes","display_name":"dysprosium(III) complexes","score":1.0},{"id":"https://openalex.org/keywords/antifungal-activity","display_name":"antifungal activity","score":0.8840000033378601},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.7609999775886536},{"id":"https://openalex.org/keywords/drug-likeness","display_name":"drug-likeness","score":0.8130000233650208},{"id":"https://openalex.org/keywords/homo-lumo-analysis","display_name":"HOMO-LUMO analysis","score":0.9290000200271606},{"id":"https://openalex.org/keywords/antibacterial-activity","display_name":"antibacterial activity","score":0.4860000014305115},{"id":"https://openalex.org/keywords/anticancer-activity","display_name":"anticancer activity","score":0.7279999852180481},{"id":"https://openalex.org/keywords/anti-inflammatory-activity","display_name":"anti-inflammatory activity","score":0.9660000205039978}],"concepts":[{"id":"https://openalex.org/C2776428424","wikidata":"https://www.wikidata.org/wiki/Q2602701","display_name":"Schiff base","level":2,"score":0.8332799673080444},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.564755916595459},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.5485005974769592},{"id":"https://openalex.org/C2780841128","wikidata":"https://www.wikidata.org/wiki/Q5073781","display_name":"Characterization (materials science)","level":2,"score":0.4913703501224518},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.44933152198791504},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4456270635128021},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.38738179206848145},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3495050072669983},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.15866142511367798},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.04697144031524658},{"id":"https://openalex.org/C42972112","wikidata":"https://www.wikidata.org/wiki/Q170201","display_name":"Veterinary medicine","level":1,"score":0.03187498450279236},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.03020566701889038},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.02619534730911255}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.46602/jcsn.v50i2.1062","doi":"https://doi.org/10.46602/jcsn.v50i2.1062","is_oa":true,"landing_page_url":"https://doi.org/10.46602/jcsn.v50i2.1062","pdf_url":"https://journals.chemsociety.org.ng/index.php/jcsn/article/download/1062/1140","source":{"id":"https://openalex.org/S4210225888","display_name":"Journal of Chemical Society of Nigeria","issn_l":"0795-2066","issn":["0795-2066","2734-2441"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":["jpps-1"],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Society of Nigeria","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.46602/jcsn.v50i2.1062","doi":"https://doi.org/10.46602/jcsn.v50i2.1062","is_oa":true,"landing_page_url":"https://doi.org/10.46602/jcsn.v50i2.1062","pdf_url":"https://journals.chemsociety.org.ng/index.php/jcsn/article/download/1062/1140","source":{"id":"https://openalex.org/S4210225888","display_name":"Journal of Chemical Society of Nigeria","issn_l":"0795-2066","issn":["0795-2066","2734-2441"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":["jpps-1"],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Society of Nigeria","raw_type":"journal-article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320322663","display_name":"Universiteit Stellenbosch","ror":"https://ror.org/05bk57929"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4410092205.pdf","grobid_xml":"https://content.openalex.org/works/W4410092205.grobid-xml"},"referenced_works_count":7,"referenced_works":["https://openalex.org/W566658183","https://openalex.org/W1988083554","https://openalex.org/W2058228948","https://openalex.org/W2511769778","https://openalex.org/W3199654891","https://openalex.org/W6699206226","https://openalex.org/W6738025075"],"related_works":["https://openalex.org/W4210276870","https://openalex.org/W2895508498","https://openalex.org/W4291637262","https://openalex.org/W4407850920","https://openalex.org/W4410370584","https://openalex.org/W4220924215","https://openalex.org/W2758005147","https://openalex.org/W4229052356","https://openalex.org/W3200488568","https://openalex.org/W2968957491"],"abstract_inverted_index":{"Schiff":[0,75,97],"base":[1,76,98],"ligand,":[2,77,99],"(E)-2-((4-amino-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)amino)phenol,":[3],"(4AAP-2AP)":[4],"derived":[5],"from":[6],"the":[7,74,80,86,96,107,118,125,165],"condensation":[8],"reaction":[9],"of":[10,164],"4-aminoantipyrine":[11],"and":[12,23,29,49,79,148,156,185],"2-aminophenol":[13],"along":[14],"with":[15],"its":[16,60,133,143,196],"Nd":[17],"(III),":[18,20],"Sm":[19],"Gd":[21],"(III)":[22,25,82],"Dy":[24],"complexes":[26,83],"were":[27,56,151],"synthesized":[28,126],"characterized":[30],"using":[31],"various":[32,87],"spectroscopic":[33,88],"methods.":[34],"The":[35,53,90,146,162,191],"molecular":[36,91,166],"docking":[37,92],"study":[38],"was":[39,66,71,115],"used":[40],"to":[41,58],"predict":[42],"interaction":[43],"against":[44],"some":[45],"antibacterial,":[46],"antifungal,":[47],"anticancer":[48],"anti-inflammatory":[50],"protein":[51,109],"targets.":[52],"physicochemical":[54,140],"properties":[55,141],"studied":[57],"determine":[59],"drug-likeness.":[61],"Density":[62],"functional":[63],"theory":[64],"calculation":[65],"also":[67],"performed.":[68],"Possible":[69],"structure":[70],"suggested":[72],"for":[73],"4AAP-2AP":[78,100],"lanthanide":[81],"based":[84],"on":[85,106],"results.":[89],"analysis":[93],"revealed":[94,123],"that":[95,124],"exhibited":[101],"a":[102],"good":[103],"binding":[104],"affinity":[105],"antifungal":[108,130,137],"target,":[110],"(PDB":[111],"ID:":[112],"7BR0).":[113],"This":[114],"confirmed":[116],"by":[117],"experimental":[119],"antimicrobial":[120],"studies":[121],"which":[122],"compounds":[127],"have":[128],"higher":[129],"activity":[131],"indicating":[132],"possible":[134,197],"use":[135],"as":[136,169],"therapeutic":[138],"drug..The":[139],"indicated":[142],"drug-likeness":[144],"ability.":[145],"HOMO":[147],"LUMO":[149],"values":[150],"EH":[152],"=":[153,158,174,178,183,189],"-4.767":[154],"eV":[155,160],"EL":[157],"-0.979":[159],"respectively.":[161],"results":[163],"parameter":[167],"are":[168],"follows:":[170],"energy":[171,193],"gap":[172,194],"(?G)":[173],"3.788,":[175],"electronegativity":[176],"(?)":[177,182,188],"2.873,":[179],"global":[180,186],"hardness":[181],"1.894":[184],"softness":[187],"0.528.":[190],"small":[192],"indicates":[195],"biological":[198],"activity.":[199]},"counts_by_year":[],"updated_date":"2026-11-10T11:39:43.021295","created_date":"2025-05-06T00:00:00"}
