{"id":"https://openalex.org/W4412379997","doi":"https://doi.org/10.1002/aoc.70303","title":"Synthesis, Characterization, and DFT Investigation of Innovative Schiff Base Transition Metal Complexes: Molecular Docking and Antimicrobial Activity","display_name":"Synthesis, Characterization, and DFT Investigation of Innovative Schiff Base Transition Metal Complexes: Molecular Docking and Antimicrobial Activity","publication_year":2025,"publication_date":"2025-07-13","ids":{"openalex":"https://openalex.org/W4412379997","doi":"https://doi.org/10.1002/aoc.70303"},"language":"en","primary_location":{"id":"doi:10.1002/aoc.70303","doi":"https://doi.org/10.1002/aoc.70303","is_oa":false,"landing_page_url":"https://doi.org/10.1002/aoc.70303","pdf_url":null,"source":{"id":"https://openalex.org/S134627157","display_name":"Applied Organometallic Chemistry","issn_l":"0268-2605","issn":["0268-2605","1099-0739"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","norway-1"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Applied Organometallic Chemistry","raw_type":"journal-article"},"volume":null,"type":"article","indexed_in":["crossref"],"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/A5093332427","display_name":"Indu Sindhu","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210134754","display_name":"Baba Mastnath University","ror":"https://ror.org/03prw2k14","country_code":"IN","type":"education","lineage":["https://openalex.org/I4210134754"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Indu Sindhu","raw_affiliation_strings":["Department of Chemistry Baba Mastnath University  Rohtak India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry Baba Mastnath University  Rohtak India","institution_ids":["https://openalex.org/I4210134754"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032060632","display_name":"Anshul Singh","orcid":"https://orcid.org/0000-0003-0962-308X","observed_orcids":["https://orcid.org/0000-0003-0962-308X"]},"institutions":[{"id":"https://openalex.org/I4210134754","display_name":"Baba Mastnath University","ror":"https://ror.org/03prw2k14","country_code":"IN","type":"education","lineage":["https://openalex.org/I4210134754"]}],"countries":["IN"],"is_corresponding":true,"raw_author_name":"Anshul Singh","raw_affiliation_strings":["Department of Chemistry Baba Mastnath University  Rohtak India"],"raw_orcid":"https://orcid.org/0000-0003-0962-308X","affiliations":[{"raw_affiliation_string":"Department of Chemistry Baba Mastnath University  Rohtak India","institution_ids":["https://openalex.org/I4210134754"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012214531","display_name":"Yogesh Deswal","orcid":"https://orcid.org/0000-0002-3706-8012","observed_orcids":["https://orcid.org/0000-0002-3706-8012"]},"institutions":[{"id":"https://openalex.org/I4210133503","display_name":"Central University of Haryana","ror":"https://ror.org/03mtwkv54","country_code":"IN","type":"education","lineage":["https://openalex.org/I4210133503"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Yogesh Deswal","raw_affiliation_strings":["Department of Chemistry Central University of Haryana  Mahendragarh India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry Central University of Haryana  Mahendragarh India","institution_ids":["https://openalex.org/I4210133503"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5087782856","display_name":"Neeraj Mohan Gupta","orcid":"https://orcid.org/0000-0001-6217-3431","observed_orcids":["https://orcid.org/0000-0001-6217-3431"]},"institutions":[{"id":"https://openalex.org/I102471911","display_name":"Jiwaji University","ror":"https://ror.org/00w9a2z18","country_code":"IN","type":"education","lineage":["https://openalex.org/I102471911"]}],"countries":["IN"],"is_corresponding":false,"raw_author_name":"Neeraj\u00a0Mohan Gupta","raw_affiliation_strings":["Department of Chemistry Govt. P. G. College, Guna, Jiwaji University  Gwalior India"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry Govt. P. G. College, Guna, Jiwaji University  Gwalior India","institution_ids":["https://openalex.org/I102471911"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5032060632"],"corresponding_institution_ids":["https://openalex.org/I4210134754"],"apc_list":{"value":4430,"currency":"USD","value_usd":4430},"apc_paid":null,"fwci":4.0971,"has_fulltext":false,"cited_by_count":11,"citation_normalized_percentile":{"value":0.95013985,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":100},"biblio":{"volume":"39","issue":"8","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":0.9800000190734863,"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":0.9800000190734863,"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":0.004600000102072954,"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/T12458","display_name":"Organometallic Compounds Synthesis and Characterization","score":0.00419999985024333,"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/schiff-base-ligands","display_name":"Schiff base ligands","score":0.871999979019165},{"id":"https://openalex.org/keywords/transition-metal-complexes","display_name":"transition metal complexes","score":0.9909999966621399},{"id":"https://openalex.org/keywords/copper-complexes","display_name":"copper complexes","score":0.9070000052452087},{"id":"https://openalex.org/keywords/antimicrobial-activity","display_name":"antimicrobial activity","score":0.8659999966621399},{"id":"https://openalex.org/keywords/anticancer-activity","display_name":"anticancer activity","score":0.828000009059906},{"id":"https://openalex.org/keywords/antidiabetic-activity","display_name":"antidiabetic activity","score":0.7860000133514404},{"id":"https://openalex.org/keywords/pancreatic-alpha-amylase-inhibition","display_name":"pancreatic alpha-amylase inhibition","score":0.8799999952316284},{"id":"https://openalex.org/keywords/mcf-7-cells","display_name":"MCF-7 cells","score":0.9589999914169312},{"id":"https://openalex.org/keywords/adme-properties","display_name":"ADME properties","score":0.7300000190734863},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.8700000047683716},{"id":"https://openalex.org/keywords/molecular-electrostatic-potential","display_name":"molecular electrostatic potential","score":0.7900000214576721},{"id":"https://openalex.org/keywords/distorted-octahedral-geometry","display_name":"distorted octahedral geometry","score":0.8529999852180481}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9569302797317505},{"id":"https://openalex.org/C2776428424","wikidata":"https://www.wikidata.org/wiki/Q2602701","display_name":"Schiff base","level":2,"score":0.8644770979881287},{"id":"https://openalex.org/C4937899","wikidata":"https://www.wikidata.org/wiki/Q68541106","display_name":"Antimicrobial","level":2,"score":0.6150564551353455},{"id":"https://openalex.org/C106773901","wikidata":"https://www.wikidata.org/wiki/Q19588","display_name":"Transition metal","level":3,"score":0.5957943797111511},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.5336597561836243},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.4969923794269562},{"id":"https://openalex.org/C2780841128","wikidata":"https://www.wikidata.org/wiki/Q5073781","display_name":"Characterization (materials science)","level":2,"score":0.47675877809524536},{"id":"https://openalex.org/C544153396","wikidata":"https://www.wikidata.org/wiki/Q11426","display_name":"Metal","level":2,"score":0.4559505581855774},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.30306366086006165},{"id":"https://openalex.org/C188027245","wikidata":"https://www.wikidata.org/wiki/Q750446","display_name":"Polymer chemistry","level":1,"score":0.30098047852516174},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.28136491775512695},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.13369813561439514},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1002/aoc.70303","doi":"https://doi.org/10.1002/aoc.70303","is_oa":false,"landing_page_url":"https://doi.org/10.1002/aoc.70303","pdf_url":null,"source":{"id":"https://openalex.org/S134627157","display_name":"Applied Organometallic Chemistry","issn_l":"0268-2605","issn":["0268-2605","1099-0739"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","norway-1"],"host_organization":"https://openalex.org/P4310320595","host_organization_name":"Wiley","host_organization_lineage":["https://openalex.org/P4310320595"],"host_organization_lineage_names":["Wiley"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Applied Organometallic Chemistry","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.5683000087738037,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"sustainable_development_goals_aurora":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G4816970427","display_name":null,"funder_award_id":"231610039634","funder_id":"https://openalex.org/F4320320721","funder_display_name":"Council of Scientific and Industrial Research, India"}],"funders":[{"id":"https://openalex.org/F4320320721","display_name":"Council of Scientific and Industrial Research, India","ror":"https://ror.org/021wm7p51"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":89,"referenced_works":["https://openalex.org/W343713114","https://openalex.org/W1965173894","https://openalex.org/W1974981223","https://openalex.org/W1996421437","https://openalex.org/W2003180130","https://openalex.org/W2012024629","https://openalex.org/W2047937197","https://openalex.org/W2050748731","https://openalex.org/W2088307957","https://openalex.org/W2093025471","https://openalex.org/W2100145642","https://openalex.org/W2111832109","https://openalex.org/W2134967712","https://openalex.org/W2466068552","https://openalex.org/W2521442883","https://openalex.org/W2624590059","https://openalex.org/W2762719190","https://openalex.org/W2775778565","https://openalex.org/W2790683861","https://openalex.org/W2796450351","https://openalex.org/W2796691415","https://openalex.org/W2890501400","https://openalex.org/W2890588664","https://openalex.org/W2905093361","https://openalex.org/W2944623344","https://openalex.org/W2946879545","https://openalex.org/W2994834340","https://openalex.org/W3000625073","https://openalex.org/W3021936076","https://openalex.org/W3021972485","https://openalex.org/W3091152103","https://openalex.org/W3091301617","https://openalex.org/W3096465049","https://openalex.org/W3118790373","https://openalex.org/W3119915475","https://openalex.org/W3130009195","https://openalex.org/W3147142721","https://openalex.org/W3161499565","https://openalex.org/W3187762439","https://openalex.org/W3202750143","https://openalex.org/W3215374457","https://openalex.org/W3217751490","https://openalex.org/W4200369117","https://openalex.org/W4214506832","https://openalex.org/W4229052356","https://openalex.org/W4251872734","https://openalex.org/W4288942286","https://openalex.org/W4291237285","https://openalex.org/W4294919169","https://openalex.org/W4295035044","https://openalex.org/W4308030960","https://openalex.org/W4310291383","https://openalex.org/W4311495856","https://openalex.org/W4311773125","https://openalex.org/W4315795824","https://openalex.org/W4318315709","https://openalex.org/W4319336016","https://openalex.org/W4320526038","https://openalex.org/W4320712364","https://openalex.org/W4322503972","https://openalex.org/W4322721184","https://openalex.org/W4324369563","https://openalex.org/W4360592195","https://openalex.org/W4362668700","https://openalex.org/W4367303710","https://openalex.org/W4367722806","https://openalex.org/W4375862757","https://openalex.org/W4377141153","https://openalex.org/W4383340895","https://openalex.org/W4383426609","https://openalex.org/W4383896782","https://openalex.org/W4385547937","https://openalex.org/W4386325984","https://openalex.org/W4388293659","https://openalex.org/W4388948328","https://openalex.org/W4388977459","https://openalex.org/W4389670307","https://openalex.org/W4392371848","https://openalex.org/W4392594796","https://openalex.org/W4393114630","https://openalex.org/W4395053622","https://openalex.org/W4395670816","https://openalex.org/W4395693346","https://openalex.org/W4396906308","https://openalex.org/W4399755436","https://openalex.org/W4403528547","https://openalex.org/W4404741342","https://openalex.org/W4405656816","https://openalex.org/W4405705266"],"related_works":["https://openalex.org/W4399041043","https://openalex.org/W1975939164","https://openalex.org/W3107994849","https://openalex.org/W2387618262","https://openalex.org/W3094316572","https://openalex.org/W2358368915","https://openalex.org/W2380741856","https://openalex.org/W2348658803","https://openalex.org/W2390464063","https://openalex.org/W2136580751"],"abstract_inverted_index":{"ABSTRACT":[0],"Schiff":[1],"base":[2],"transition":[3],"metal":[4,71,117,124],"complex":[5,179],"exhibiting":[6],"anticancer":[7],"and":[8,16,41,51,97,107,135,154,161],"anti\u2010diabetic":[9],"(in":[10],"silico":[11],"studies)":[12],"characteristics":[13],"was":[14,82,147],"synthesized":[15,80,123,142],"characterized":[17],"by":[18,31],"condensation":[19],"method.":[20],"The":[21,46,73],"characterization":[22],"techniques":[23],"employed":[24],"for":[25],"the":[26,65,70,79,110,115,121,138,141,169,172,176],"structure":[27],"confirmation":[28],"were":[29,56,130,166],"done":[30],"infrared,":[32],"mass,":[33],"nuclear":[34],"magnetic":[35],"resonance,":[36],"analytical,":[37],"scanning":[38],"electron":[39],"microscopy,":[40],"powder":[42],"X\u2010ray":[43],"diffraction":[44],"studies.":[45],"geometry":[47,68],"optimization,":[48],"molecular":[49,52,145],"orbitals,":[50],"electrostatic":[53],"potential":[54,77],"surfaces":[55],"assessed":[57,83],"with":[58,163],"B3LYP/LanL2DZ":[59],"level":[60],"of":[61,69,78,114,140,175],"theory,":[62],"which":[63],"demonstrates":[64],"distorted":[66],"octahedral":[67],"complexes.":[72,125,143],"in":[74],"vitro":[75],"antimicrobial":[76],"complexes":[81,118],"against":[84,149,180],"B.":[85,88],"subtilis":[86],",":[87,90,93,96,103],"cereus":[89],"P.":[91],"aeruginosa":[92],"E.":[94],"coli":[95],"fungal":[98],"strains":[99],"(":[100],"C.":[101],"Albicans":[102],"A.":[104],"niger":[105],"),":[106],"outcomes":[108],"divulge":[109],"more":[111,173],"potent":[112],"activity":[113],"copper":[116],"amid":[119],"all":[120],"newly":[122],"Besides":[126],"this,":[127],"ADME":[128],"properties":[129],"evaluated":[131],"employing":[132],"SWISSADME":[133],"software,":[134],"findings":[136],"unveiled":[137,171],"drug\u2010likeness":[139],"Furthermore,":[144],"docking":[146],"executed":[148],"human":[150,155],"pancreatic":[151],"alpha\u2010amylase":[152],"(1HNY)":[153],"MCF\u20107":[156],"breast":[157],"cancerous":[158],"cells":[159],"(4ZVM),":[160],"interactions":[162],"amino":[164],"acids":[165],"observed,":[167],"while":[168],"results":[170],"efficacy":[174],"cobalt":[177],"nitrate":[178],"both":[181],"receptors.":[182]},"counts_by_year":[{"year":2026,"cited_by_count":10},{"year":2025,"cited_by_count":1}],"updated_date":"2026-10-04T09:36:47.201465","created_date":"2025-10-10T00:00:00"}