{"id":"https://openalex.org/W4407204922","doi":"https://doi.org/10.1016/j.molstruc.2025.141684","title":"Drug design, green synthesis, in-vitro antibacterial and antifungal activities, computational investigation, and molecular docking studies of novel spiro-indoline-pyrano-pyrimidine and pyrazolo derivatives","display_name":"Drug design, green synthesis, in-vitro antibacterial and antifungal activities, computational investigation, and molecular docking studies of novel spiro-indoline-pyrano-pyrimidine and pyrazolo derivatives","publication_year":2025,"publication_date":"2025-02-06","ids":{"openalex":"https://openalex.org/W4407204922","doi":"https://doi.org/10.1016/j.molstruc.2025.141684"},"language":"en","primary_location":{"id":"doi:10.1016/j.molstruc.2025.141684","doi":"https://doi.org/10.1016/j.molstruc.2025.141684","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.molstruc.2025.141684","pdf_url":null,"source":{"id":"https://openalex.org/S203479135","display_name":"Journal of Molecular Structure","issn_l":"0022-2860","issn":["0022-2860","1872-8014"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-1","vabb-shw"],"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Structure","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://hal.univ-lorraine.fr/hal-05718230v1/document","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5047309377","display_name":"Faiza Boukezzoula","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I162489102","display_name":"University of Batna 1","ror":"https://ror.org/04hrbe508","country_code":"DZ","type":"education","lineage":["https://openalex.org/I162489102"]}],"countries":["DZ"],"is_corresponding":false,"raw_author_name":"Faiza Boukezzoula","raw_affiliation_strings":["Laboratory of Materials Chemistry and the Living: Activity & Reactivity (LCMVAR), Department of Chemistry, Faculty of Matter Sciences, University of Batna 1, Algeria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Materials Chemistry and the Living: Activity & Reactivity (LCMVAR), Department of Chemistry, Faculty of Matter Sciences, University of Batna 1, Algeria","institution_ids":["https://openalex.org/I162489102"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5041755028","display_name":"Oussama Khaoua","orcid":"https://orcid.org/0000-0002-1514-8716","observed_orcids":["https://orcid.org/0000-0002-1514-8716"]},"institutions":[{"id":"https://openalex.org/I162489102","display_name":"University of Batna 1","ror":"https://ror.org/04hrbe508","country_code":"DZ","type":"education","lineage":["https://openalex.org/I162489102"]}],"countries":["DZ"],"is_corresponding":true,"raw_author_name":"Oussama Khaoua","raw_affiliation_strings":["Laboratory of Materials Chemistry and the Living: Activity & Reactivity (LCMVAR), Department of Chemistry, Faculty of Matter Sciences, University of Batna 1, Algeria"],"raw_orcid":"https://orcid.org/0000-0002-1514-8716","affiliations":[{"raw_affiliation_string":"Laboratory of Materials Chemistry and the Living: Activity & Reactivity (LCMVAR), Department of Chemistry, Faculty of Matter Sciences, University of Batna 1, Algeria","institution_ids":["https://openalex.org/I162489102"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5082433667","display_name":"Nora Chouha","orcid":"https://orcid.org/0000-0002-2774-1939","observed_orcids":["https://orcid.org/0000-0002-2774-1939"]},"institutions":[{"id":"https://openalex.org/I162489102","display_name":"University of Batna 1","ror":"https://ror.org/04hrbe508","country_code":"DZ","type":"education","lineage":["https://openalex.org/I162489102"]},{"id":"https://openalex.org/I4387153399","display_name":"University of Batna 2","ror":"https://ror.org/02yvp6477","country_code":"DZ","type":"education","lineage":["https://openalex.org/I4387153399"]}],"countries":["DZ"],"is_corresponding":false,"raw_author_name":"Nora Chouha","raw_affiliation_strings":["Faculty of Technology, Batna-2 University, Algeria","Laboratory of Chemistry and Environmental Chemistry (LCCE), Department of Chemistry, Faculty of Matter Sciences, University of Batna 1, Algeria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Faculty of Technology, Batna-2 University, Algeria","institution_ids":["https://openalex.org/I4387153399"]},{"raw_affiliation_string":"Laboratory of Chemistry and Environmental Chemistry (LCCE), Department of Chemistry, Faculty of Matter Sciences, University of Batna 1, Algeria","institution_ids":["https://openalex.org/I162489102"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5094021206","display_name":"Ridha Bendaas","orcid":"https://orcid.org/0009-0000-0512-6313","observed_orcids":["https://orcid.org/0009-0000-0512-6313"]},"institutions":[{"id":"https://openalex.org/I116970179","display_name":"University of Jijel","ror":"https://ror.org/03kkfk814","country_code":"DZ","type":"education","lineage":["https://openalex.org/I116970179"]},{"id":"https://openalex.org/I162489102","display_name":"University of Batna 1","ror":"https://ror.org/04hrbe508","country_code":"DZ","type":"education","lineage":["https://openalex.org/I162489102"]}],"countries":["DZ"],"is_corresponding":false,"raw_author_name":"Ridha Bendaas","raw_affiliation_strings":["Laboratory of Applied Energetics and Materials (LEAM), Department of Chemistry, Faculty of Exact Sciences and Computer Science, University of Jijel, Algeria","Laboratory of Materials Chemistry and the Living: Activity & Reactivity (LCMVAR), Department of Chemistry, Faculty of Matter Sciences, University of Batna 1, Algeria"],"raw_orcid":"https://orcid.org/0009-0000-0512-6313","affiliations":[{"raw_affiliation_string":"Laboratory of Applied Energetics and Materials (LEAM), Department of Chemistry, Faculty of Exact Sciences and Computer Science, University of Jijel, Algeria","institution_ids":["https://openalex.org/I116970179"]},{"raw_affiliation_string":"Laboratory of Materials Chemistry and the Living: Activity & Reactivity (LCMVAR), Department of Chemistry, Faculty of Matter Sciences, University of Batna 1, Algeria","institution_ids":["https://openalex.org/I162489102"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066198156","display_name":"Noura Benbellat","orcid":"https://orcid.org/0000-0003-4776-7770","observed_orcids":["https://orcid.org/0000-0003-4776-7770"]},"institutions":[{"id":"https://openalex.org/I162489102","display_name":"University of Batna 1","ror":"https://ror.org/04hrbe508","country_code":"DZ","type":"education","lineage":["https://openalex.org/I162489102"]}],"countries":["DZ"],"is_corresponding":false,"raw_author_name":"Noura Benbellat","raw_affiliation_strings":["Laboratory of Materials Chemistry and the Living: Activity & Reactivity (LCMVAR), Department of Chemistry, Faculty of Matter Sciences, University of Batna 1, Algeria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Materials Chemistry and the Living: Activity & Reactivity (LCMVAR), Department of Chemistry, Faculty of Matter Sciences, University of Batna 1, Algeria","institution_ids":["https://openalex.org/I162489102"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037562938","display_name":"Jos\u00e9 Carlos Men\u00e9ndez","orcid":"https://orcid.org/0000-0002-0560-8416","observed_orcids":["https://orcid.org/0000-0002-0560-8416"]},"institutions":[{"id":"https://openalex.org/I121748325","display_name":"Universidad Complutense de Madrid","ror":"https://ror.org/02p0gd045","country_code":"ES","type":"education","lineage":["https://openalex.org/I121748325"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Jos\u00e9 Carlos Men\u00e9ndez","raw_affiliation_strings":["Department of Chemistry in Pharmaceutical Sciences, Complutense University of Madrid, Madrid, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry in Pharmaceutical Sciences, Complutense University of Madrid, Madrid, Spain","institution_ids":["https://openalex.org/I121748325"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5024454014","display_name":"Gilbert Kirsch","orcid":"https://orcid.org/0000-0001-8500-1755","observed_orcids":["https://orcid.org/0000-0001-8500-1755"]},"institutions":[{"id":"https://openalex.org/I4387153710","display_name":"Laboratoire Lorrain de Chimie Mol\u00e9culaire","ror":"https://ror.org/020azc393","country_code":"FR","type":"facility","lineage":["https://openalex.org/I1294671590","https://openalex.org/I4387153710","https://openalex.org/I90183372"]},{"id":"https://openalex.org/I90183372","display_name":"Universit\u00e9 de Lorraine","ror":"https://ror.org/04vfs2w97","country_code":"FR","type":"education","lineage":["https://openalex.org/I90183372"]}],"countries":["FR"],"is_corresponding":false,"raw_author_name":"Gilbert Kirsch","raw_affiliation_strings":["L2CM, Lorraine University, 1 Boulevard Arago, 57070, France"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"L2CM, Lorraine University, 1 Boulevard Arago, 57070, France","institution_ids":["https://openalex.org/I4387153710","https://openalex.org/I90183372"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5003757349","display_name":"Abdelatif Messaoudi","orcid":"https://orcid.org/0000-0002-7089-1086","observed_orcids":["https://orcid.org/0000-0002-7089-1086","https://orcid.org/0000-0002-0697-8363"]},"institutions":[{"id":"https://openalex.org/I162489102","display_name":"University of Batna 1","ror":"https://ror.org/04hrbe508","country_code":"DZ","type":"education","lineage":["https://openalex.org/I162489102"]}],"countries":["DZ"],"is_corresponding":false,"raw_author_name":"Abdelatif Messaoudi","raw_affiliation_strings":["Laboratory of Materials Chemistry and the Living: Activity & Reactivity (LCMVAR), Department of Chemistry, Faculty of Matter Sciences, University of Batna 1, Algeria"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory of Materials Chemistry and the Living: Activity & Reactivity (LCMVAR), Department of Chemistry, Faculty of Matter Sciences, University of Batna 1, Algeria","institution_ids":["https://openalex.org/I162489102"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5041755028"],"corresponding_institution_ids":["https://openalex.org/I162489102"],"apc_list":{"value":3360,"currency":"USD","value_usd":3360},"apc_paid":null,"fwci":4.5426,"has_fulltext":false,"cited_by_count":17,"citation_normalized_percentile":{"value":0.9611083,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":98,"max":99},"biblio":{"volume":"1333","issue":null,"first_page":"141684","last_page":"141684"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10817","display_name":"Multicomponent Synthesis of Heterocycles","score":0.8500999808311462,"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/T10817","display_name":"Multicomponent Synthesis of Heterocycles","score":0.8500999808311462,"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":0.09939999878406525,"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":0.04410000145435333,"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/spirooxindole-derivatives","display_name":"spirooxindole derivatives","score":0.9520000219345093},{"id":"https://openalex.org/keywords/green-synthesis","display_name":"green synthesis","score":0.7319999933242798},{"id":"https://openalex.org/keywords/one-pot-synthesis","display_name":"one-pot synthesis","score":0.7730000019073486},{"id":"https://openalex.org/keywords/antibacterial-activity","display_name":"antibacterial activity","score":0.953000009059906},{"id":"https://openalex.org/keywords/antifungal-activity","display_name":"antifungal activity","score":0.9990000128746033},{"id":"https://openalex.org/keywords/escherichia-coli","display_name":"Escherichia coli","score":0.9610000252723694},{"id":"https://openalex.org/keywords/klebsiella-pneumoniae","display_name":"Klebsiella pneumoniae","score":0.9990000128746033},{"id":"https://openalex.org/keywords/candida-albicans","display_name":"Candida albicans","score":1.0},{"id":"https://openalex.org/keywords/structure-activity-relationship","display_name":"structure-activity relationship","score":0.7739999890327454},{"id":"https://openalex.org/keywords/dft-electronic-structure","display_name":"DFT electronic structure","score":0.6679999828338623},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.9430000185966492},{"id":"https://openalex.org/keywords/drug-likeness","display_name":"drug-likeness","score":0.8579999804496765},{"id":"https://openalex.org/keywords/toxicity-assessment","display_name":"toxicity prediction","score":0.8190000057220459}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9302246570587158},{"id":"https://openalex.org/C2779321679","wikidata":"https://www.wikidata.org/wiki/Q207722","display_name":"Pyrimidine","level":2,"score":0.779806911945343},{"id":"https://openalex.org/C2779890007","wikidata":"https://www.wikidata.org/wiki/Q2613101","display_name":"Indoline","level":2,"score":0.7442657351493835},{"id":"https://openalex.org/C2779548794","wikidata":"https://www.wikidata.org/wiki/Q578726","display_name":"Antifungal","level":2,"score":0.6803634762763977},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.6731312274932861},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.5101466774940491},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.48999419808387756},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.4683705270290375},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2130180299282074},{"id":"https://openalex.org/C89423630","wikidata":"https://www.wikidata.org/wiki/Q7193","display_name":"Microbiology","level":1,"score":0.09525874257087708},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1016/j.molstruc.2025.141684","doi":"https://doi.org/10.1016/j.molstruc.2025.141684","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.molstruc.2025.141684","pdf_url":null,"source":{"id":"https://openalex.org/S203479135","display_name":"Journal of Molecular Structure","issn_l":"0022-2860","issn":["0022-2860","1872-8014"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","ki-jl-1","norway-1","poland-70","russia-white-list-1","vabb-shw"],"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Structure","raw_type":"journal-article"},{"id":"pmh:oai:HAL:hal-05718230v1","doi":null,"is_oa":true,"landing_page_url":"https://hal.univ-lorraine.fr/hal-05718230v1/document","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4405252976","host_organization_name":"Centre pour la Communication Scientifique Directe","host_organization_lineage":["https://openalex.org/I4405252976"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Molecular Structure, 2025, 1333, pp.141684. &#x27E8;10.1016/j.molstruc.2025.141684&#x27E9;","raw_type":"info:eu-repo/semantics/article"}],"best_oa_location":{"id":"pmh:oai:HAL:hal-05718230v1","doi":null,"is_oa":true,"landing_page_url":"https://hal.univ-lorraine.fr/hal-05718230v1/document","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I4405252976","host_organization_name":"Centre pour la Communication Scientifique Directe","host_organization_lineage":["https://openalex.org/I4405252976"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Molecular Structure, 2025, 1333, pp.141684. &#x27E8;10.1016/j.molstruc.2025.141684&#x27E9;","raw_type":"info:eu-repo/semantics/article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.504800021648407}],"study_designs":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":71,"referenced_works":["https://openalex.org/W596434018","https://openalex.org/W614838761","https://openalex.org/W1970549136","https://openalex.org/W1988080518","https://openalex.org/W1990437495","https://openalex.org/W2009867031","https://openalex.org/W2010412372","https://openalex.org/W2023271753","https://openalex.org/W2083491886","https://openalex.org/W2102993886","https://openalex.org/W2105668062","https://openalex.org/W2111897217","https://openalex.org/W2120388413","https://openalex.org/W2128247899","https://openalex.org/W2141889412","https://openalex.org/W2147479689","https://openalex.org/W2169678694","https://openalex.org/W2322301541","https://openalex.org/W2345105659","https://openalex.org/W2513259236","https://openalex.org/W2569639894","https://openalex.org/W2593436234","https://openalex.org/W2608168147","https://openalex.org/W2747555364","https://openalex.org/W2799776019","https://openalex.org/W2883264986","https://openalex.org/W2949236218","https://openalex.org/W2974586854","https://openalex.org/W2998227922","https://openalex.org/W3007366778","https://openalex.org/W3014033393","https://openalex.org/W3044683115","https://openalex.org/W3135092304","https://openalex.org/W3142343884","https://openalex.org/W3164052477","https://openalex.org/W3174872557","https://openalex.org/W3183439856","https://openalex.org/W3187363872","https://openalex.org/W3211478990","https://openalex.org/W4212987147","https://openalex.org/W4220734884","https://openalex.org/W4220965971","https://openalex.org/W4225636581","https://openalex.org/W4297327358","https://openalex.org/W4304698355","https://openalex.org/W4308119339","https://openalex.org/W4318826731","https://openalex.org/W4327974626","https://openalex.org/W4328015238","https://openalex.org/W4362513434","https://openalex.org/W4382284334","https://openalex.org/W4385310642","https://openalex.org/W4386192571","https://openalex.org/W4387849076","https://openalex.org/W4388562857","https://openalex.org/W4389502882","https://openalex.org/W4390655171","https://openalex.org/W4390742367","https://openalex.org/W4391471849","https://openalex.org/W4391844440","https://openalex.org/W4392352111","https://openalex.org/W4392867939","https://openalex.org/W4393226258","https://openalex.org/W4399679574","https://openalex.org/W4399833643","https://openalex.org/W4400086936","https://openalex.org/W4400653295","https://openalex.org/W4401097815","https://openalex.org/W4403238261","https://openalex.org/W4403277413","https://openalex.org/W4403650588"],"related_works":["https://openalex.org/W2089228929","https://openalex.org/W2308423464","https://openalex.org/W2621247395","https://openalex.org/W2141889412","https://openalex.org/W2027336852","https://openalex.org/W4318480499","https://openalex.org/W7129672755","https://openalex.org/W4416664646","https://openalex.org/W4248353982","https://openalex.org/W4415681379"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":5},{"year":2025,"cited_by_count":12}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2025-02-07T00:00:00"}
