{"id":"https://openalex.org/W7203751361","doi":"https://doi.org/10.2174/0122127968457473260725195109","title":"Synthesis, Characterization, Molecular Docking, and In Silico ADMET Analysis of Newly Bioactive Pyrazolophosphonate and Spiro-Pyrazole Derivatives","display_name":"Synthesis, Characterization, Molecular Docking, and In Silico ADMET Analysis of Newly Bioactive Pyrazolophosphonate and Spiro-Pyrazole Derivatives","publication_year":2026,"publication_date":"2026-08-03","ids":{"openalex":"https://openalex.org/W7203751361","doi":"https://doi.org/10.2174/0122127968457473260725195109"},"language":"en","primary_location":{"id":"doi:10.2174/0122127968457473260725195109","doi":"https://doi.org/10.2174/0122127968457473260725195109","is_oa":false,"landing_page_url":"https://doi.org/10.2174/0122127968457473260725195109","pdf_url":null,"source":{"id":"https://openalex.org/S178760346","display_name":"Current Chemical Biology","issn_l":"1872-3136","issn":["1872-3136","2212-7968"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","poland-20","russia-white-list-3"],"host_organization":"https://openalex.org/P4310320079","host_organization_name":"Bentham Science Publishers","host_organization_lineage":["https://openalex.org/P4310320079"],"host_organization_lineage_names":["Bentham Science Publishers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Current Chemical Biology","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"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/A5016586337","display_name":"Achraf Hibot","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210119856","display_name":"Universit\u00e9 Sultan Moulay Slimane","ror":"https://ror.org/02m8tb249","country_code":"MA","type":"education","lineage":["https://openalex.org/I4210119856"]}],"countries":["MA"],"is_corresponding":false,"raw_author_name":"Achraf Hibot","raw_affiliation_strings":["Laboratory of Molecular Chemistry, Materials and Catalysis, Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000 Beni-Mellal, Morocco"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Chemistry, Materials and Catalysis, Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000 Beni-Mellal, Morocco","institution_ids":["https://openalex.org/I4210119856"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5114490533","display_name":"Badr Hamdache","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210119856","display_name":"Universit\u00e9 Sultan Moulay Slimane","ror":"https://ror.org/02m8tb249","country_code":"MA","type":"education","lineage":["https://openalex.org/I4210119856"]}],"countries":["MA"],"is_corresponding":false,"raw_author_name":"Badr Hamdache","raw_affiliation_strings":["Laboratory of Molecular Chemistry, Materials and Catalysis, Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000 Beni-Mellal, Morocco"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Chemistry, Materials and Catalysis, Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000 Beni-Mellal, Morocco","institution_ids":["https://openalex.org/I4210119856"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012982646","display_name":"Jamila Zaiter","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210119856","display_name":"Universit\u00e9 Sultan Moulay Slimane","ror":"https://ror.org/02m8tb249","country_code":"MA","type":"education","lineage":["https://openalex.org/I4210119856"]}],"countries":["MA"],"is_corresponding":false,"raw_author_name":"Jamila Zaiter","raw_affiliation_strings":["Laboratory of Molecular Chemistry, Materials and Catalysis, Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000 Beni-Mellal, Morocco"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Chemistry, Materials and Catalysis, Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000 Beni-Mellal, Morocco","institution_ids":["https://openalex.org/I4210119856"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5147657752","display_name":"Soumaya Talibi","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210119856","display_name":"Universit\u00e9 Sultan Moulay Slimane","ror":"https://ror.org/02m8tb249","country_code":"MA","type":"education","lineage":["https://openalex.org/I4210119856"]}],"countries":["MA"],"is_corresponding":false,"raw_author_name":"Soumaya Talibi","raw_affiliation_strings":["Laboratory of Molecular Chemistry, Materials and Catalysis, Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000 Beni-Mellal, Morocco"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Chemistry, Materials and Catalysis, Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000 Beni-Mellal, Morocco","institution_ids":["https://openalex.org/I4210119856"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5050265802","display_name":"Mustapha Dib","orcid":"https://orcid.org/0000-0002-9277-6062","observed_orcids":["https://orcid.org/0000-0002-9277-6062"]},"institutions":[{"id":"https://openalex.org/I4210108110","display_name":"Mohamed I University","ror":"https://ror.org/01ejxf797","country_code":"MA","type":"education","lineage":["https://openalex.org/I4210108110"]}],"countries":["MA"],"is_corresponding":true,"raw_author_name":"Mustapha Dib","raw_affiliation_strings":["Laboratory of Applied Chemistry and Environment, Mineral Solid Chemistry Team, Faculty of Sciences, Mohammed Premier University, B.P. 717, 60 000, Oujda, Morocco"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Applied Chemistry and Environment, Mineral Solid Chemistry Team, Faculty of Sciences, Mohammed Premier University, B.P. 717, 60 000, Oujda, Morocco","institution_ids":["https://openalex.org/I4210108110"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012798416","display_name":"Hajiba Ouchetto","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210119856","display_name":"Universit\u00e9 Sultan Moulay Slimane","ror":"https://ror.org/02m8tb249","country_code":"MA","type":"education","lineage":["https://openalex.org/I4210119856"]}],"countries":["MA"],"is_corresponding":false,"raw_author_name":"Hajiba Ouchetto","raw_affiliation_strings":["Laboratory of Molecular Chemistry, Materials and Catalysis, Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000 Beni-Mellal, Morocco"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Chemistry, Materials and Catalysis, Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000 Beni-Mellal, Morocco","institution_ids":["https://openalex.org/I4210119856"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5013287615","display_name":"Abderrafia Hafid","orcid":"https://orcid.org/0000-0002-2668-2957","observed_orcids":["https://orcid.org/0000-0002-2668-2957"]},"institutions":[{"id":"https://openalex.org/I4210119856","display_name":"Universit\u00e9 Sultan Moulay Slimane","ror":"https://ror.org/02m8tb249","country_code":"MA","type":"education","lineage":["https://openalex.org/I4210119856"]}],"countries":["MA"],"is_corresponding":false,"raw_author_name":"Abderrafia Hafid","raw_affiliation_strings":["Laboratory of Molecular Chemistry, Materials and Catalysis, Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000 Beni-Mellal, Morocco"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Molecular Chemistry, Materials and Catalysis, Faculty of Sciences and Technics, Sultan Moulay Slimane University, BP 523, 23000 Beni-Mellal, Morocco","institution_ids":["https://openalex.org/I4210119856"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5021166609","display_name":"Mostaf\u00e0 Khouili","orcid":"https://orcid.org/0000-0002-5858-5334","observed_orcids":["https://orcid.org/0000-0002-5858-5334"]},"institutions":[{"id":"https://openalex.org/I4210119856","display_name":"Universit\u00e9 Sultan Moulay Slimane","ror":"https://ror.org/02m8tb249","country_code":"MA","type":"education","lineage":["https://openalex.org/I4210119856"]}],"countries":["MA"],"is_corresponding":false,"raw_author_name":"Mostafa Khouili","raw_affiliation_strings":["Sultan Moulay Slimane University Laboratory of Molecular Chemistry, Materials and Catalysis, Faculty of Sciences and Technics Beni Mellal Morocco"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Sultan Moulay Slimane University Laboratory of Molecular Chemistry, Materials and Catalysis, Faculty of Sciences and Technics Beni Mellal Morocco","institution_ids":["https://openalex.org/I4210119856"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5050265802"],"corresponding_institution_ids":["https://openalex.org/I4210108110"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.46512071,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"20","issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11748","display_name":"Organophosphorus compounds synthesis","score":0.6685000061988831,"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/T11748","display_name":"Organophosphorus compounds synthesis","score":0.6685000061988831,"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":0.15489999949932098,"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":"Heterocyclic Compound Synthesis and Bioactivity","score":0.10080000013113022,"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/organophosphorus-compounds","display_name":"organophosphorus compounds","score":0.9279999732971191},{"id":"https://openalex.org/keywords/triethyl-phosphite","display_name":"triethyl phosphite","score":0.9129999876022339},{"id":"https://openalex.org/keywords/proline-catalysis","display_name":"proline catalysis","score":0.8420000076293945},{"id":"https://openalex.org/keywords/kabachnik-fields-reaction","display_name":"Kabachnik-Fields reaction","score":0.8880000114440918},{"id":"https://openalex.org/keywords/pudovik-reaction","display_name":"Pudovik reaction","score":0.9490000009536743},{"id":"https://openalex.org/keywords/three-component-reaction","display_name":"three-component reaction","score":0.9449999928474426},{"id":"https://openalex.org/keywords/antibacterial-agents","display_name":"antibacterial agents","score":0.7440000176429749},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.7850000262260437},{"id":"https://openalex.org/keywords/admet-prediction","display_name":"ADMET prediction","score":0.9639999866485596},{"id":"https://openalex.org/keywords/pharmacokinetics","display_name":"pharmacokinetics","score":0.6970000267028809},{"id":"https://openalex.org/keywords/toxicity-assessment","display_name":"toxicity prediction","score":0.5210000276565552},{"id":"https://openalex.org/keywords/drug-candidates","display_name":"drug candidates","score":0.7680000066757202}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8434000015258789},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.646399974822998},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.5993000268936157},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5756999850273132},{"id":"https://openalex.org/C2780283098","wikidata":"https://www.wikidata.org/wiki/Q4688960","display_name":"Affinities","level":2,"score":0.5210999846458435},{"id":"https://openalex.org/C3018795828","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Binding affinities","level":3,"score":0.48080000281333923},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.43130001425743103},{"id":"https://openalex.org/C207245611","wikidata":"https://www.wikidata.org/wiki/Q910058","display_name":"Condensation reaction","level":3,"score":0.4027000069618225},{"id":"https://openalex.org/C41183919","wikidata":"https://www.wikidata.org/wiki/Q423026","display_name":"Active site","level":3,"score":0.367000013589859},{"id":"https://openalex.org/C41847442","wikidata":"https://www.wikidata.org/wiki/Q916723","display_name":"Lipinski's rule of five","level":4,"score":0.36660000681877136},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3612000048160553},{"id":"https://openalex.org/C116073593","wikidata":"https://www.wikidata.org/wiki/Q864491","display_name":"Biological activity","level":3,"score":0.319599986076355},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.319599986076355},{"id":"https://openalex.org/C112705442","wikidata":"https://www.wikidata.org/wiki/Q323936","display_name":"Pharmacokinetics","level":2,"score":0.2969000041484833},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.2703999876976013},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.26170000433921814},{"id":"https://openalex.org/C207464780","wikidata":"https://www.wikidata.org/wiki/Q7209103","display_name":"Polar surface area","level":3,"score":0.25870001316070557},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.25270000100135803}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.2174/0122127968457473260725195109","doi":"https://doi.org/10.2174/0122127968457473260725195109","is_oa":false,"landing_page_url":"https://doi.org/10.2174/0122127968457473260725195109","pdf_url":null,"source":{"id":"https://openalex.org/S178760346","display_name":"Current Chemical Biology","issn_l":"1872-3136","issn":["1872-3136","2212-7968"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","jufo-1","poland-20","russia-white-list-3"],"host_organization":"https://openalex.org/P4310320079","host_organization_name":"Bentham Science Publishers","host_organization_lineage":["https://openalex.org/P4310320079"],"host_organization_lineage_names":["Bentham Science Publishers"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Current Chemical Biology","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.504800021648407,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W7118296546","https://openalex.org/W4409735098","https://openalex.org/W4414047401","https://openalex.org/W4414599700","https://openalex.org/W4400621225","https://openalex.org/W2904639539","https://openalex.org/W4385722903","https://openalex.org/W2171173082","https://openalex.org/W4410904701","https://openalex.org/W1243560251"],"abstract_inverted_index":{"Introduction:":[0],"This":[1,228],"study":[2,229],"presents":[3],"an":[4,25],"efficient":[5],"and":[6,16,28,52,94,110,118,126,141,163,182,187,199,208,224,238,244,252],"simple":[7,47,232],"method":[8,205],"for":[9,87,133],"synthesizing":[10],"novel":[11],"bioactive":[12],"organophosphorus":[13],"compounds":[14,64,91,158,172,248],"4":[15],"5":[17],"via":[18],"a":[19,37,46,231],"three-component":[20],"condensation":[21,48,116],"reaction":[22,49],"of":[23,39,234],"aminophenylpyrazolinone,":[24],"aromatic":[26,54,108],"aldehyde,":[27],"triethyl":[29,111],"phosphite,":[30],"using":[31,139,146],"L-proline":[32],"as":[33,104,220,254],"the":[34,68,123,150,174,212],"organocatalyst.":[35],"Furthermore,":[36],"series":[38],"spiro-pyrazolone":[40],"derivatives":[41,215,240],"was":[42],"successfully":[43],"obtained":[44],"by":[45,222],"between":[50],"aminophenylpyrazolinone":[51],"various":[53],"aldehydes.":[55],"In":[56],"addition,":[57],"molecular":[58,147],"docking":[59,148,161,223],"studies":[60],"demonstrated":[61],"that":[62],"all":[63],"effectively":[65],"interact":[66],"with":[67,149,173,241],"target":[69],"protein's":[70],"active":[71,236],"site,":[72],"forming":[73],"stable":[74,160],"ligand\u2013protein":[75],"complexes.":[76],"ADMET":[77,193,225],"analysis":[78,194],"against":[79],"E.":[80,151],"coli":[81,152],"also":[82],"reveals":[83],"favorable":[84],"pharmacokinetic":[85,245],"properties":[86],"most":[88],"compounds.":[89,124],"However,":[90],"6a,":[92,185],"6g,":[93,186],"7j":[95,188],"show":[96,216],"potential":[97,190,255],"toxicity,":[98,191],"which":[99],"may":[100],"limit":[101],"their":[102],"applicability":[103],"drugs.":[105],"Methods:":[106],"3-amino-1-phenyl-2-pyrazolin-5-one,":[107],"aldehydes,":[109],"phosphite":[112],"were":[113,131,137,144,178],"used":[114,132],"in":[115],"reactions":[117,120],"Kabachnik\u2013Fields/Pudovik-type":[119],"to":[121,168],"create":[122],"HRMS":[125],"NMR":[127],"(1H,":[128],"13C,":[129],"2D)":[130],"characterization.":[134],"Pharmacokinetic":[135],"characteristics":[136],"predicted":[138],"pKCSM,":[140],"binding":[142,165],"affinities":[143,166],"evaluated":[145],"protein":[153],"1FJ4.":[154],"Results:":[155],"The":[156,171,203],"produced":[157],"showed":[159,189],"conformations":[162],"strong":[164],"(-7.0":[167],"-9.2":[169],"kcal/mol).":[170],"best":[175],"interaction":[176],"profiles":[177],"6d,":[179,249],"6e,":[180,250],"6f,":[181,251],"7i.":[183],"Compounds":[184],"but":[192],"indicated":[195,221],"good":[196],"intestinal":[197],"absorption":[198],"acceptable":[200],"metabolism.":[201],"Discussion:":[202],"synthetic":[204],"worked":[206],"well":[207],"did":[209],"not":[210],"harm":[211],"environment.":[213],"Several":[214],"promising":[217,242],"pharmacological":[218],"potential,":[219],"results.":[226],"Conclusion:":[227],"introduces":[230],"synthesis":[233],"biologically":[235],"pyrazolophosphonate":[237],"spiro-pyrazole":[239],"antibacterial":[243],"profiles,":[246],"highlighting":[247],"7i":[253],"drug":[256],"candidates.":[257]},"counts_by_year":[],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2026-08-20T00:00:00"}
