{"id":"https://openalex.org/W3133079912","doi":"https://doi.org/10.1016/j.molstruc.2021.130180","title":"Multicomponent synthesis, DFT calculations and molecular docking studies of novel thiazolyl-pyridazinones as potential antimicrobial agents against antibiotic-resistant bacteria","display_name":"Multicomponent synthesis, DFT calculations and molecular docking studies of novel thiazolyl-pyridazinones as potential antimicrobial agents against antibiotic-resistant bacteria","publication_year":2021,"publication_date":"2021-02-25","ids":{"openalex":"https://openalex.org/W3133079912","doi":"https://doi.org/10.1016/j.molstruc.2021.130180","mag":"3133079912"},"language":"en","primary_location":{"id":"doi:10.1016/j.molstruc.2021.130180","doi":"https://doi.org/10.1016/j.molstruc.2021.130180","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.molstruc.2021.130180","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":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5048540895","display_name":"Saraa Abu-Melha","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I82952536","display_name":"King Khalid University","ror":"https://ror.org/052kwzs30","country_code":"SA","type":"education","lineage":["https://openalex.org/I82952536"]}],"countries":["SA"],"is_corresponding":false,"raw_author_name":"Saraa Abu-Melha","raw_affiliation_strings":["Chemistry Department, Faculty of Science, King Khalid University, Abha 61413, Saudi Arabia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Department, Faculty of Science, King Khalid University, Abha 61413, Saudi Arabia","institution_ids":["https://openalex.org/I82952536"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5039363446","display_name":"Zeinab A. Muhammad","orcid":"https://orcid.org/0000-0003-1711-8497","observed_orcids":["https://orcid.org/0000-0003-1711-8497"]},"institutions":[{"id":"https://openalex.org/I4210136593","display_name":"National Organization for Drug Control and Research","ror":"https://ror.org/0407ex783","country_code":"EG","type":"facility","lineage":["https://openalex.org/I4210136593","https://openalex.org/I4210160667","https://openalex.org/I4405259620"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Zeinab A. Muhammad","raw_affiliation_strings":["Department Pharmaceutical Chemistry, National Organization for Drug Control and Research (NODCAR), Giza 12311, Egypt"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department Pharmaceutical Chemistry, National Organization for Drug Control and Research (NODCAR), Giza 12311, Egypt","institution_ids":["https://openalex.org/I4210136593"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5110746662","display_name":"Amr S. Abouzid","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210088963","display_name":"University of Ha'il","ror":"https://ror.org/013w98a82","country_code":"SA","type":"education","lineage":["https://openalex.org/I4210088963"]},{"id":"https://openalex.org/I4210136593","display_name":"National Organization for Drug Control and Research","ror":"https://ror.org/0407ex783","country_code":"EG","type":"facility","lineage":["https://openalex.org/I4210136593","https://openalex.org/I4210160667","https://openalex.org/I4405259620"]}],"countries":["EG","SA"],"is_corresponding":false,"raw_author_name":"Amr S. Abouzid","raw_affiliation_strings":["Department Pharmaceutical Chemistry, National Organization for Drug Control and Research (NODCAR), Giza 12311, Egypt","Department of Pharmaceutical Chemistry, College of Pharmacy, University of Hail, Hail, Saudi Arabia"],"raw_orcid":"https://orcid.org/0000-0002-9202-3909","affiliations":[{"raw_affiliation_string":"Department Pharmaceutical Chemistry, National Organization for Drug Control and Research (NODCAR), Giza 12311, Egypt","institution_ids":["https://openalex.org/I4210136593"]},{"raw_affiliation_string":"Department of Pharmaceutical Chemistry, College of Pharmacy, University of Hail, Hail, Saudi Arabia","institution_ids":["https://openalex.org/I4210088963"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002475341","display_name":"Mastoura Mohamed Edrees","orcid":"https://orcid.org/0000-0002-2301-7652","observed_orcids":["https://orcid.org/0000-0002-2301-7652"]},"institutions":[{"id":"https://openalex.org/I4210136593","display_name":"National Organization for Drug Control and Research","ror":"https://ror.org/0407ex783","country_code":"EG","type":"facility","lineage":["https://openalex.org/I4210136593","https://openalex.org/I4210160667","https://openalex.org/I4405259620"]},{"id":"https://openalex.org/I82952536","display_name":"King Khalid University","ror":"https://ror.org/052kwzs30","country_code":"SA","type":"education","lineage":["https://openalex.org/I82952536"]}],"countries":["EG","SA"],"is_corresponding":false,"raw_author_name":"Mastoura M. Edrees","raw_affiliation_strings":["Chemistry Department, Faculty of Science, King Khalid University, Abha 61413, Saudi Arabia","Department Pharmaceutical Chemistry, National Organization for Drug Control and Research (NODCAR), Giza 12311, Egypt"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Chemistry Department, Faculty of Science, King Khalid University, Abha 61413, Saudi Arabia","institution_ids":["https://openalex.org/I82952536"]},{"raw_affiliation_string":"Department Pharmaceutical Chemistry, National Organization for Drug Control and Research (NODCAR), Giza 12311, Egypt","institution_ids":["https://openalex.org/I4210136593"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090508770","display_name":"Ahmed S. Abo Dena","orcid":"https://orcid.org/0000-0001-9624-4656","observed_orcids":["https://orcid.org/0000-0001-9624-4656"]},"institutions":[{"id":"https://openalex.org/I186217134","display_name":"Future University in Egypt","ror":"https://ror.org/03s8c2x09","country_code":"EG","type":"education","lineage":["https://openalex.org/I186217134"]},{"id":"https://openalex.org/I4210136593","display_name":"National Organization for Drug Control and Research","ror":"https://ror.org/0407ex783","country_code":"EG","type":"facility","lineage":["https://openalex.org/I4210136593","https://openalex.org/I4210160667","https://openalex.org/I4405259620"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Ahmed S. Abo Dena","raw_affiliation_strings":["Department Pharmaceutical Chemistry, National Organization for Drug Control and Research (NODCAR), Giza 12311, Egypt","Faculty of Oral and Dental Medicine, Future University in Egypt (FUE), New Cairo, Egypt"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department Pharmaceutical Chemistry, National Organization for Drug Control and Research (NODCAR), Giza 12311, Egypt","institution_ids":["https://openalex.org/I4210136593"]},{"raw_affiliation_string":"Faculty of Oral and Dental Medicine, Future University in Egypt (FUE), New Cairo, Egypt","institution_ids":["https://openalex.org/I186217134"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067309630","display_name":"Sara Nabil","orcid":"https://orcid.org/0000-0002-1438-2236","observed_orcids":["https://orcid.org/0000-0002-1438-2236"]},"institutions":[{"id":"https://openalex.org/I76571253","display_name":"Imam Abdulrahman Bin Faisal University","ror":"https://ror.org/038cy8j79","country_code":"SA","type":"education","lineage":["https://openalex.org/I76571253"]}],"countries":["SA"],"is_corresponding":false,"raw_author_name":"Sara Nabil","raw_affiliation_strings":["Department of Chemistry, College of Science, Imam Abdulrahman Bin Faisal University, P.O.Box 1982, Dammam 31441, Saudi Arabia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, College of Science, Imam Abdulrahman Bin Faisal University, P.O.Box 1982, Dammam 31441, Saudi Arabia","institution_ids":["https://openalex.org/I76571253"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5075917911","display_name":"Sobhi M. Gomha","orcid":"https://orcid.org/0000-0002-7739-2837","observed_orcids":["https://orcid.org/0000-0002-7739-2837"]},"institutions":[{"id":"https://openalex.org/I145487455","display_name":"Cairo University","ror":"https://ror.org/03q21mh05","country_code":"EG","type":"education","lineage":["https://openalex.org/I145487455"]}],"countries":["EG"],"is_corresponding":true,"raw_author_name":"Sobhi M. Gomha","raw_affiliation_strings":["Department of Chemistry, Faculty of Science, Cairo University, Giza 12613, Egypt","Department of Chemistry, Faculty of Science, Islamic University in Almadinah Almonawara, Almadinah Almonawara, 42351, Saudi Arabia"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Faculty of Science, Cairo University, Giza 12613, Egypt","institution_ids":["https://openalex.org/I145487455"]},{"raw_affiliation_string":"Department of Chemistry, Faculty of Science, Islamic University in Almadinah Almonawara, Almadinah Almonawara, 42351, Saudi Arabia","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5075917911"],"corresponding_institution_ids":["https://openalex.org/I145487455"],"apc_list":{"value":2760,"currency":"USD","value_usd":2760},"apc_paid":null,"fwci":2.4007,"has_fulltext":false,"cited_by_count":30,"citation_normalized_percentile":{"value":0.89267781,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":92,"max":99},"biblio":{"volume":"1234","issue":null,"first_page":"130180","last_page":"130180"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10817","display_name":"Multicomponent Synthesis of Heterocycles","score":0.6547999978065491,"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":0.6547999978065491,"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":0.1753000020980835,"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":0.12099999934434891,"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/antimicrobial-agents","display_name":"antimicrobial agents","score":0.8190000057220459},{"id":"https://openalex.org/keywords/antibiotic-resistant-bacteria","display_name":"antibiotic-resistant bacteria","score":0.9160000085830688},{"id":"https://openalex.org/keywords/methicillin-resistant-staphylococcus-aureus","display_name":"methicillin-resistant Staphylococcus aureus","score":0.6050000190734863},{"id":"https://openalex.org/keywords/staphylococcus-aureus","display_name":"Staphylococcus aureus","score":0.8730000257492065},{"id":"https://openalex.org/keywords/pseudomonas-aeruginosa","display_name":"Pseudomonas aeruginosa","score":0.9369999766349792},{"id":"https://openalex.org/keywords/candida-albicans","display_name":"Candida albicans","score":0.9990000128746033},{"id":"https://openalex.org/keywords/antifungal-activity","display_name":"antifungal activity","score":0.9110000133514404},{"id":"https://openalex.org/keywords/microwave-assisted-synthesis","display_name":"microwave-assisted synthesis","score":0.9509999752044678},{"id":"https://openalex.org/keywords/one-pot-three-component-reaction","display_name":"one-pot three-component reaction","score":0.8529999852180481},{"id":"https://openalex.org/keywords/maleic-anhydride","display_name":"maleic anhydride","score":0.8140000104904175},{"id":"https://openalex.org/keywords/thiosemicarbazide","display_name":"thiosemicarbazide","score":0.9900000095367432},{"id":"https://openalex.org/keywords/alpha-bromoketones","display_name":"\u03b1-bromoketones","score":0.9610000252723694},{"id":"https://openalex.org/keywords/quantum-chemical-calculations","display_name":"quantum chemical calculations","score":0.7350000143051147},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.8610000014305115},{"id":"https://openalex.org/keywords/enoyl-acyl-carrier-protein-reductase","display_name":"FabI","score":0.7059999704360962},{"id":"https://openalex.org/keywords/sap2","display_name":"SAP2","score":0.7670000195503235},{"id":"https://openalex.org/keywords/band-gap","display_name":"band gap","score":0.3919999897480011}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.8880364298820496},{"id":"https://openalex.org/C4937899","wikidata":"https://www.wikidata.org/wiki/Q68541106","display_name":"Antimicrobial","level":2,"score":0.6635959148406982},{"id":"https://openalex.org/C2780104969","wikidata":"https://www.wikidata.org/wiki/Q4774530","display_name":"Antibacterial activity","level":3,"score":0.5740196108818054},{"id":"https://openalex.org/C163111631","wikidata":"https://www.wikidata.org/wiki/Q1952454","display_name":"Carbon-13 NMR","level":2,"score":0.5067716240882874},{"id":"https://openalex.org/C2780917455","wikidata":"https://www.wikidata.org/wiki/Q310443","display_name":"Candida albicans","level":2,"score":0.5026113986968994},{"id":"https://openalex.org/C2781076698","wikidata":"https://www.wikidata.org/wiki/Q718074","display_name":"Aryl","level":3,"score":0.4437786340713501},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.4422551393508911},{"id":"https://openalex.org/C13965031","wikidata":"https://www.wikidata.org/wiki/Q243545","display_name":"Nuclear chemistry","level":1,"score":0.35601624846458435},{"id":"https://openalex.org/C523546767","wikidata":"https://www.wikidata.org/wiki/Q10876","display_name":"Bacteria","level":2,"score":0.35021236538887024},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.3380178213119507},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.3170802593231201},{"id":"https://openalex.org/C89423630","wikidata":"https://www.wikidata.org/wiki/Q7193","display_name":"Microbiology","level":1,"score":0.14667093753814697},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C2780263894","wikidata":"https://www.wikidata.org/wiki/Q335268","display_name":"Alkyl","level":2,"score":0.0},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.molstruc.2021.130180","doi":"https://doi.org/10.1016/j.molstruc.2021.130180","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.molstruc.2021.130180","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"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.504800021648407}],"study_designs":[],"awards":[{"id":"https://openalex.org/G6861885786","display_name":null,"funder_award_id":"GRP-239-41","funder_id":"https://openalex.org/F4320322804","funder_display_name":"Deanship of Scientific Research, King Faisal University"}],"funders":[{"id":"https://openalex.org/F4320322804","display_name":"Deanship of Scientific Research, King Faisal University","ror":"https://ror.org/00dn43547"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":48,"referenced_works":["https://openalex.org/W1965173894","https://openalex.org/W1967995929","https://openalex.org/W1970311962","https://openalex.org/W1975813118","https://openalex.org/W1977735999","https://openalex.org/W1980447920","https://openalex.org/W1981220099","https://openalex.org/W1993713650","https://openalex.org/W1998485735","https://openalex.org/W2001103619","https://openalex.org/W2004752793","https://openalex.org/W2009397812","https://openalex.org/W2012176907","https://openalex.org/W2015591576","https://openalex.org/W2030020472","https://openalex.org/W2037203845","https://openalex.org/W2037446170","https://openalex.org/W2042766065","https://openalex.org/W2054541760","https://openalex.org/W2057094540","https://openalex.org/W2058699640","https://openalex.org/W2064499658","https://openalex.org/W2066265594","https://openalex.org/W2071233202","https://openalex.org/W2072434460","https://openalex.org/W2078506765","https://openalex.org/W2093507452","https://openalex.org/W2094704608","https://openalex.org/W2123510187","https://openalex.org/W2124021996","https://openalex.org/W2164526370","https://openalex.org/W2242371564","https://openalex.org/W2276827798","https://openalex.org/W2291562174","https://openalex.org/W2307055133","https://openalex.org/W2365274822","https://openalex.org/W2396315819","https://openalex.org/W2552399992","https://openalex.org/W2599637814","https://openalex.org/W2948328765","https://openalex.org/W2950042792","https://openalex.org/W2950836954","https://openalex.org/W2953103219","https://openalex.org/W2999920615","https://openalex.org/W3001455197","https://openalex.org/W3088876369","https://openalex.org/W3100986510","https://openalex.org/W6772952545"],"related_works":["https://openalex.org/W2901125629","https://openalex.org/W3121816102","https://openalex.org/W2921427838","https://openalex.org/W7162851379","https://openalex.org/W377444404","https://openalex.org/W4403828743","https://openalex.org/W7154897261","https://openalex.org/W4387608491","https://openalex.org/W7162658114","https://openalex.org/W2039158901"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":3},{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":8},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":10},{"year":2021,"cited_by_count":2}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2021-03-01T00:00:00"}
