{"id":"https://openalex.org/W7218310643","doi":null,"title":"In silico and Experimental Study of Two Hydrazones: The Impact of Positional Isomerism and Metal Complexation on Antibacterial and Antioxidant Activities","display_name":"In silico and Experimental Study of Two Hydrazones: The Impact of Positional Isomerism and Metal Complexation on Antibacterial and Antioxidant Activities","publication_year":2026,"publication_date":"2026-07-13","ids":{"openalex":"https://openalex.org/W7218310643"},"language":"en","primary_location":{"id":"pmh:oai:ojs2.atbuscienceforum.com.ng:article/350","doi":null,"is_oa":true,"landing_page_url":"https://atbuscienceforum.com.ng/index.php/jpas/article/view/350","pdf_url":"https://atbuscienceforum.com.ng/index.php/jpas/article/download/350/340","source":{"id":"https://openalex.org/S4210210550","display_name":"Science Forum (Journal of Pure and Applied Sciences)","issn_l":"1119-4618","issn":["1119-4618"],"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":"journal"},"license":"cc-by-nc-sa","license_id":"https://openalex.org/licenses/cc-by-nc-sa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"1119-4618","raw_type":"info:eu-repo/semantics/article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":[],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://atbuscienceforum.com.ng/index.php/jpas/article/download/350/340","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5053805059","display_name":"Tenimu Abubakar","orcid":"https://orcid.org/0000-0003-4785-0881","observed_orcids":["https://orcid.org/0000-0003-4785-0881"]},"institutions":[{"id":"https://openalex.org/I2800190170","display_name":"Federal University Lokoja","ror":"https://ror.org/018ced875","country_code":"NG","type":"education","lineage":["https://openalex.org/I2800190170"]}],"countries":["NG"],"is_corresponding":false,"raw_author_name":"Abubakar, Tenimu A,","raw_affiliation_strings":["Department of Chemistry , Faculty of Science , Federal University Lokoja , P.M.B 1154 ,","Kogi State"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry , Faculty of Science , Federal University Lokoja , P.M.B 1154 ,","institution_ids":["https://openalex.org/I2800190170"]},{"raw_affiliation_string":"Kogi State","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5041834818","display_name":"Kehinde Gabriel Obiyenwa","orcid":"https://orcid.org/0000-0003-0184-8807","observed_orcids":["https://orcid.org/0000-0003-0184-8807"]},"institutions":[{"id":"https://openalex.org/I2800190170","display_name":"Federal University Lokoja","ror":"https://ror.org/018ced875","country_code":"NG","type":"education","lineage":["https://openalex.org/I2800190170"]}],"countries":["NG"],"is_corresponding":false,"raw_author_name":"Obiyenwa, Gabriel K.","raw_affiliation_strings":["Department of Chemistry , Faculty of Science , Federal University Lokoja , P.M.B 1154 ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry , Faculty of Science , Federal University Lokoja , P.M.B 1154 ,","institution_ids":["https://openalex.org/I2800190170"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5154507472","display_name":"Suleiman Muhammed","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I2800190170","display_name":"Federal University Lokoja","ror":"https://ror.org/018ced875","country_code":"NG","type":"education","lineage":["https://openalex.org/I2800190170"]}],"countries":["NG"],"is_corresponding":false,"raw_author_name":"Muhammed, Suleiman","raw_affiliation_strings":["Department of Chemistry , Faculty of Science , Federal University Lokoja , P.M.B 1154 ,"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry , Faculty of Science , Federal University Lokoja , P.M.B 1154 ,","institution_ids":["https://openalex.org/I2800190170"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5021655084","display_name":"Olalekan Wasiu Salawu","orcid":"https://orcid.org/0000-0003-1135-9775","observed_orcids":["https://orcid.org/0000-0003-1135-9775"]},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Salawu, Olalekan W.","raw_affiliation_strings":["Kogi State"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Kogi State","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":[],"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":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10163","display_name":"Metal complexes synthesis and properties","score":0.7842000126838684,"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"}},"topics":[{"id":"https://openalex.org/T10163","display_name":"Metal complexes synthesis and properties","score":0.7842000126838684,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.12680000066757202,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T14099","display_name":"Synthesis and Characterization of Heterocyclic Compounds","score":0.019999999552965164,"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/hydrazones","display_name":"hydrazones","score":0.9559999704360962},{"id":"https://openalex.org/keywords/positional-isomerism","display_name":"positional isomerism","score":0.972000002861023},{"id":"https://openalex.org/keywords/isoniazid","display_name":"isoniazid","score":0.6470000147819519},{"id":"https://openalex.org/keywords/coordination-compounds","display_name":"metal complexes","score":0.546999990940094},{"id":"https://openalex.org/keywords/fe3-coordination","display_name":"Fe3+ coordination","score":0.7519999742507935},{"id":"https://openalex.org/keywords/la3-coordination","display_name":"La3+ coordination","score":0.9559999704360962},{"id":"https://openalex.org/keywords/antibacterial-activity","display_name":"antibacterial activity","score":0.875},{"id":"https://openalex.org/keywords/antioxidant-activity","display_name":"antioxidant activity","score":0.9940000176429749},{"id":"https://openalex.org/keywords/free-radical-scavenging-activity","display_name":"free radical scavenging","score":0.871999979019165},{"id":"https://openalex.org/keywords/dna-gyrase","display_name":"DNA gyrase","score":0.8050000071525574},{"id":"https://openalex.org/keywords/keap1","display_name":"Keap1","score":0.9929999709129333},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.7110000252723694}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8906999826431274},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.6241000294685364},{"id":"https://openalex.org/C167125095","wikidata":"https://www.wikidata.org/wiki/Q70551687","display_name":"DNA gyrase","level":4,"score":0.6126999855041504},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5486000180244446},{"id":"https://openalex.org/C201194858","wikidata":"https://www.wikidata.org/wiki/Q898238","display_name":"Steric effects","level":2,"score":0.49970000982284546},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.4731000065803528},{"id":"https://openalex.org/C2778689049","wikidata":"https://www.wikidata.org/wiki/Q898422","display_name":"Substituent","level":2,"score":0.47130000591278076},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.44999998807907104},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.3878999948501587},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.3862000107765198},{"id":"https://openalex.org/C2776568683","wikidata":"https://www.wikidata.org/wiki/Q23005640","display_name":"Moiety","level":2,"score":0.366100013256073},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.357699990272522},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.3384000062942505},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.3361000120639801},{"id":"https://openalex.org/C2780104969","wikidata":"https://www.wikidata.org/wiki/Q4774530","display_name":"Antibacterial activity","level":3,"score":0.3212999999523163},{"id":"https://openalex.org/C544153396","wikidata":"https://www.wikidata.org/wiki/Q11426","display_name":"Metal","level":2,"score":0.3197000026702881},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.31700000166893005},{"id":"https://openalex.org/C8010536","wikidata":"https://www.wikidata.org/wiki/Q160398","display_name":"Crystallography","level":1,"score":0.30379998683929443},{"id":"https://openalex.org/C164923092","wikidata":"https://www.wikidata.org/wiki/Q3705921","display_name":"Molecular descriptor","level":3,"score":0.3034000098705292},{"id":"https://openalex.org/C56173144","wikidata":"https://www.wikidata.org/wiki/Q1539893","display_name":"Pharmacophore","level":2,"score":0.2978000044822693},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.2831000089645386},{"id":"https://openalex.org/C2781442258","wikidata":"https://www.wikidata.org/wiki/Q46310","display_name":"Ab initio","level":2,"score":0.28189998865127563},{"id":"https://openalex.org/C53105671","wikidata":"https://www.wikidata.org/wiki/Q14777816","display_name":"Rational design","level":2,"score":0.2784999907016754},{"id":"https://openalex.org/C2779485729","wikidata":"https://www.wikidata.org/wiki/Q210385","display_name":"Pyridine","level":2,"score":0.2761000096797943},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.27079999446868896},{"id":"https://openalex.org/C112887158","wikidata":"https://www.wikidata.org/wiki/Q169324","display_name":"Hydrogen bond","level":3,"score":0.2678999900817871},{"id":"https://openalex.org/C65556437","wikidata":"https://www.wikidata.org/wiki/Q766195","display_name":"Protein Data Bank (RCSB PDB)","level":2,"score":0.2676999866962433},{"id":"https://openalex.org/C3019249092","wikidata":"https://www.wikidata.org/wiki/Q274493","display_name":"Antibacterial agent","level":3,"score":0.26750001311302185},{"id":"https://openalex.org/C552990157","wikidata":"https://www.wikidata.org/wiki/Q7430","display_name":"DNA","level":2,"score":0.25929999351501465},{"id":"https://openalex.org/C166014724","wikidata":"https://www.wikidata.org/wiki/Q337217","display_name":"Cooperativity","level":2,"score":0.2515999972820282}],"mesh":[],"locations_count":1,"locations":[{"id":"pmh:oai:ojs2.atbuscienceforum.com.ng:article/350","doi":null,"is_oa":true,"landing_page_url":"https://atbuscienceforum.com.ng/index.php/jpas/article/view/350","pdf_url":"https://atbuscienceforum.com.ng/index.php/jpas/article/download/350/340","source":{"id":"https://openalex.org/S4210210550","display_name":"Science Forum (Journal of Pure and Applied Sciences)","issn_l":"1119-4618","issn":["1119-4618"],"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":"journal"},"license":"cc-by-nc-sa","license_id":"https://openalex.org/licenses/cc-by-nc-sa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"1119-4618","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"pmh:oai:ojs2.atbuscienceforum.com.ng:article/350","doi":null,"is_oa":true,"landing_page_url":"https://atbuscienceforum.com.ng/index.php/jpas/article/view/350","pdf_url":"https://atbuscienceforum.com.ng/index.php/jpas/article/download/350/340","source":{"id":"https://openalex.org/S4210210550","display_name":"Science Forum (Journal of Pure and Applied Sciences)","issn_l":"1119-4618","issn":["1119-4618"],"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":"journal"},"license":"cc-by-nc-sa","license_id":"https://openalex.org/licenses/cc-by-nc-sa","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"1119-4618","raw_type":"info:eu-repo/semantics/article"},"sustainable_development_goals":[],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7218310643.pdf","grobid_xml":"https://content.openalex.org/works/W7218310643.grobid-xml"},"referenced_works_count":15,"referenced_works":["https://openalex.org/W853625182","https://openalex.org/W2002015567","https://openalex.org/W2086736809","https://openalex.org/W2170232165","https://openalex.org/W2173602532","https://openalex.org/W2551155385","https://openalex.org/W2593436234","https://openalex.org/W3005921653","https://openalex.org/W3083406432","https://openalex.org/W3158338289","https://openalex.org/W4248107770","https://openalex.org/W4387164156","https://openalex.org/W4391751679","https://openalex.org/W4396519787","https://openalex.org/W4414145230"],"related_works":["https://openalex.org/W7163372534","https://openalex.org/W3133511703","https://openalex.org/W4412931673","https://openalex.org/W2810472160","https://openalex.org/W2981945229","https://openalex.org/W4411378215","https://openalex.org/W7155177865","https://openalex.org/W7212133817","https://openalex.org/W7166294041","https://openalex.org/W2990861760"],"abstract_inverted_index":{"The":[0,67],"geometric":[1],"disposition":[2],"of":[3,10,21,28,38,54,168,193,206],"pharmacophoric":[4],"groups":[5],"is":[6,254],"a":[7,147,181,291,310],"critical":[8],"determinant":[9],"drug":[11,32],"efficacy":[12],"and":[13,43,51,63,69,76,83,100,111,121,134,187,223,247,261,287],"target":[14],"recognition.":[15],"This":[16,251],"study":[17],"investigated":[18],"the":[19,25,36,39,49,95,142,155,165,174,190,203,224,228,235,240,248,257,271,278,283],"influence":[20,205],"structural":[22,207],"isomerism":[23],"on":[24],"pharmacological":[26],"performance":[27],"two":[29],"isomeric":[30],"hydrazone-based":[31],"candidates,":[33],"differing":[34],"in":[35,131],"position":[37],"pyridine":[40,285],"nitrogen":[41,286],"atom":[42],"an":[44,55],"ethoxy":[45,288],"substituent":[46,289],"located":[47],"at":[48,94],"ortho":[50],"para":[52],"positions":[53],"adjacent":[56],"benzene":[57],"ring,":[58],"together":[59],"with":[60,114,185,215],"their":[61,70],"Fe\u00b3\u207a":[62,236,302],"La\u00b3\u207a":[64],"coordination":[65,300],"complexes.":[66],"ligands":[68,230],"corresponding":[71],"metal":[72],"complexes":[73],"were":[74,103,128],"synthesized":[75],"structurally":[77],"characterized":[78],"using":[79],"Fourier-transform":[80],"infrared":[81],"(FTIR)":[82],"nuclear":[84],"magnetic":[85],"resonance":[86],"(NMR)":[87],"spectroscopy.":[88],"Density":[89],"Functional":[90],"Theory":[91],"(DFT)":[92],"calculations":[93],"B3LYP/6-311G(d,p)":[96],"level,":[97],"molecular":[98,107,293],"docking,":[99],"ADMET":[101],"modelling":[102],"employed":[104],"to":[105,221,256,277,301],"evaluate":[106],"geometry,":[108],"pharmacokinetic":[109],"properties,":[110],"binding":[112,178,200],"interactions":[113],"Escherichia":[115],"coli":[116],"DNA":[117,176],"Gyrase":[118,177],"(PDB:":[119,124],"6F86)":[120],"human":[122],"Keap1":[123],"4L7B).":[125],"Computational":[126],"predictions":[127],"validated":[129],"through":[130],"vitro":[132],"antibacterial":[133,210,297],"antioxidant":[135,233,305],"assays.":[136],"Spectroscopic":[137],"characterization":[138],"identified":[139],"L1":[140,169,216],"as":[141,265,309],"linear":[143,166],"isoniazid":[144,272],"isomer,":[145],"exhibiting":[146,217],"lower":[148],"carbonyl":[149],"stretching":[150],"frequency":[151],"(1645":[152],"cm\u207b\u00b9)":[153],"than":[154],"kinked":[156],"nicotinic":[157,279],"hydrazide":[158,280],"analogue":[159],"(L2).":[160],"Molecular":[161],"docking":[162],"demonstrated":[163],"that":[164,198,295],"geometry":[167,192],"enabled":[170],"deeper":[171],"penetration":[172],"into":[173],"narrow":[175],"pocket,":[179],"forming":[180],"stabilizing":[182],"dual-lock":[183],"interaction":[184],"Glu50":[186],"Asn46,":[188],"whereas":[189],"bent":[191],"L2":[194,222],"induced":[195],"steric":[196],"hindrance":[197],"reduced":[199],"affinity,":[201],"highlighting":[202],"significant":[204],"isomerism.":[208],"Experimental":[209],"assays":[211],"corroborated":[212],"these":[213],"findings,":[214],"superior":[218,276,304],"activity":[219,253],"relative":[220],"reference":[225],"drug.":[226],"Although":[227],"free":[229],"displayed":[231],"moderate":[232],"activity,":[234,306],"complex":[237],"(C1)":[238],"exhibited":[239],"strongest":[241],"radical-scavenging":[242],"capacity,":[243],"significantly":[244],"outperforming":[245],"C2":[246],"uncoordinated":[249],"ligands.":[250],"enhanced":[252,296],"attributed":[255],"redox-active":[258],"iron":[259],"centre":[260],"paramagnetic":[262],"enolic":[263],"coordination,":[264],"supported":[266],"by":[267],"NMR":[268],"analysis.":[269],"Overall,":[270],"scaffold":[273],"proved":[274],"pharmacologically":[275],"analogue,":[281],"while":[282],"para-oriented":[284],"promoted":[290],"favourable":[292],"architecture":[294],"efficacy.":[298],"Furthermore,":[299],"unlocked":[303],"identifying":[307],"C1":[308],"promising":[311],"dual-action":[312],"therapeutic":[313],"lead":[314],"candidate.":[315]},"counts_by_year":[],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2026-10-03T00:00:00"}