{"id":"https://openalex.org/W4409434728","doi":"https://doi.org/10.1016/j.molstruc.2025.142338","title":"Molecular docking, ADME study, Cardiovascular biomarkers and gastric safety of new pyrazoles as selective anti-inflammatory agents","display_name":"Molecular docking, ADME study, Cardiovascular biomarkers and gastric safety of new pyrazoles as selective anti-inflammatory agents","publication_year":2025,"publication_date":"2025-04-14","ids":{"openalex":"https://openalex.org/W4409434728","doi":"https://doi.org/10.1016/j.molstruc.2025.142338"},"language":"en","primary_location":{"id":"doi:10.1016/j.molstruc.2025.142338","doi":"https://doi.org/10.1016/j.molstruc.2025.142338","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.molstruc.2025.142338","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/A5061510283","display_name":"Eman K. A. Abdelall","orcid":"https://orcid.org/0000-0001-6075-3563","observed_orcids":["https://orcid.org/0000-0001-6075-3563"]},"institutions":[{"id":"https://openalex.org/I113643904","display_name":"Beni-Suef University","ror":"https://ror.org/05pn4yv70","country_code":"EG","type":"education","lineage":["https://openalex.org/I113643904"]}],"countries":["EG"],"is_corresponding":true,"raw_author_name":"Eman K.A. Abdelall","raw_affiliation_strings":["Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Suef 62514, Egypt"],"raw_orcid":"https://orcid.org/0000-0001-6075-3563","affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Suef 62514, Egypt","institution_ids":["https://openalex.org/I113643904"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080654094","display_name":"Sameh S. Zaghlool","orcid":"https://orcid.org/0000-0001-5460-7172","observed_orcids":["https://orcid.org/0000-0001-5460-7172"]},"institutions":[{"id":"https://openalex.org/I4210089325","display_name":"Modern University for Information and Technology","ror":"https://ror.org/00746ch50","country_code":"EG","type":"education","lineage":["https://openalex.org/I4210089325"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Sameh S. Zaghlool","raw_affiliation_strings":["Department of Pharmacology and Toxicology, Modern University for Technology and Information (MTI), Mokattam, Cairo 11571, Egypt"],"raw_orcid":"https://orcid.org/0000-0001-5460-7172","affiliations":[{"raw_affiliation_string":"Department of Pharmacology and Toxicology, Modern University for Technology and Information (MTI), Mokattam, Cairo 11571, Egypt","institution_ids":["https://openalex.org/I4210089325"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5117144053","display_name":"Joseph Z.F. Saad","orcid":"https://orcid.org/0009-0002-1326-5115","observed_orcids":["https://orcid.org/0009-0002-1326-5115"]},"institutions":[{"id":"https://openalex.org/I4210089325","display_name":"Modern University for Information and Technology","ror":"https://ror.org/00746ch50","country_code":"EG","type":"education","lineage":["https://openalex.org/I4210089325"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Joseph Z.F. Saad","raw_affiliation_strings":["Department of Pharmaceutical Organic Chemistry, Modern University for Technology and Information (MTI), Mokattam, Cairo 11571, Egypt"],"raw_orcid":"https://orcid.org/0009-0002-1326-5115","affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Organic Chemistry, Modern University for Technology and Information (MTI), Mokattam, Cairo 11571, Egypt","institution_ids":["https://openalex.org/I4210089325"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5004334216","display_name":"John N. Philoppes","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I113643904","display_name":"Beni-Suef University","ror":"https://ror.org/05pn4yv70","country_code":"EG","type":"education","lineage":["https://openalex.org/I113643904"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"John N. Philoppes","raw_affiliation_strings":["Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Suef 62514, Egypt"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Beni-Suef University, Beni-Suef 62514, Egypt","institution_ids":["https://openalex.org/I113643904"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5061510283"],"corresponding_institution_ids":["https://openalex.org/I113643904"],"apc_list":{"value":3360,"currency":"USD","value_usd":3360},"apc_paid":null,"fwci":2.7867,"has_fulltext":false,"cited_by_count":10,"citation_normalized_percentile":{"value":0.90976701,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":97,"max":98},"biblio":{"volume":"1340","issue":null,"first_page":"142338","last_page":"142338"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10274","display_name":"Heterocyclic Compound Synthesis and Bioactivity","score":0.9672999978065491,"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/T10274","display_name":"Heterocyclic Compound Synthesis and Bioactivity","score":0.9672999978065491,"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/T10678","display_name":"Inflammatory mediators and NSAID effects","score":0.01489999983459711,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology (medical)"},"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/T14099","display_name":"Synthesis and Characterization of Heterocyclic Compounds","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"}}],"keywords":[{"id":"https://openalex.org/keywords/pyrazoles","display_name":"pyrazole derivatives","score":0.8410000205039978},{"id":"https://openalex.org/keywords/cox-2-inhibitors","display_name":"COX-2 inhibitors","score":0.9200000166893005},{"id":"https://openalex.org/keywords/selective-cox-2-inhibition","display_name":"selective COX-2 inhibition","score":0.7699999809265137},{"id":"https://openalex.org/keywords/anti-inflammatory-agents","display_name":"anti-inflammatory agents","score":0.7730000019073486},{"id":"https://openalex.org/keywords/cardiovascular-safety","display_name":"cardiovascular safety","score":0.9160000085830688},{"id":"https://openalex.org/keywords/adme","display_name":"ADME","score":0.5199999809265137},{"id":"https://openalex.org/keywords/cardiovascular-biomarkers","display_name":"cardiovascular biomarkers","score":0.8029999732971191},{"id":"https://openalex.org/keywords/tnf-alpha","display_name":"TNF-\u03b1","score":0.5680000185966492},{"id":"https://openalex.org/keywords/interleukin-6","display_name":"interleukin-6","score":0.9860000014305115},{"id":"https://openalex.org/keywords/thrombin","display_name":"thrombin","score":0.6629999876022339},{"id":"https://openalex.org/keywords/oxazoles","display_name":"oxazoles","score":0.4620000123977661},{"id":"https://openalex.org/keywords/pyrimidines","display_name":"pyrimidines","score":0.8610000014305115},{"id":"https://openalex.org/keywords/enamines","display_name":"enamines","score":0.8259999752044678},{"id":"https://openalex.org/keywords/piperazine","display_name":"piperazine","score":0.6140000224113464},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.5040000081062317},{"id":"https://openalex.org/keywords/drug-design","display_name":"drug design","score":0.3959999978542328}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.9553244113922119},{"id":"https://openalex.org/C69366308","wikidata":"https://www.wikidata.org/wiki/Q2272286","display_name":"ADME","level":3,"score":0.849696159362793},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.5795205235481262},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5191351771354675},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.36102524399757385},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.28872713446617126},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"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/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.molstruc.2025.142338","doi":"https://doi.org/10.1016/j.molstruc.2025.142338","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.molstruc.2025.142338","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":0.9763000011444092}],"study_designs":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320317165","display_name":"Beni-Suef University","ror":"https://ror.org/05pn4yv70"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":55,"referenced_works":["https://openalex.org/W1559831035","https://openalex.org/W1790815918","https://openalex.org/W1807294801","https://openalex.org/W1970952895","https://openalex.org/W1975736811","https://openalex.org/W1981819970","https://openalex.org/W1986704897","https://openalex.org/W1990425813","https://openalex.org/W2003005781","https://openalex.org/W2007380986","https://openalex.org/W2014644245","https://openalex.org/W2015016880","https://openalex.org/W2015568023","https://openalex.org/W2018835009","https://openalex.org/W2025190578","https://openalex.org/W2025838546","https://openalex.org/W2036492411","https://openalex.org/W2037953230","https://openalex.org/W2042761341","https://openalex.org/W2079100376","https://openalex.org/W2084256772","https://openalex.org/W2084260196","https://openalex.org/W2097966917","https://openalex.org/W2112845321","https://openalex.org/W2157775625","https://openalex.org/W2159485385","https://openalex.org/W2162299102","https://openalex.org/W2164260555","https://openalex.org/W2219302796","https://openalex.org/W2262538191","https://openalex.org/W2319665076","https://openalex.org/W2337716123","https://openalex.org/W2338315442","https://openalex.org/W2401752022","https://openalex.org/W2419069926","https://openalex.org/W2565654507","https://openalex.org/W2601052279","https://openalex.org/W2774919730","https://openalex.org/W2902972139","https://openalex.org/W2905059875","https://openalex.org/W2914924006","https://openalex.org/W2949025566","https://openalex.org/W2982123858","https://openalex.org/W3011959076","https://openalex.org/W3013083741","https://openalex.org/W3049115557","https://openalex.org/W3085552768","https://openalex.org/W3106699425","https://openalex.org/W3159155173","https://openalex.org/W3175308972","https://openalex.org/W4248107770","https://openalex.org/W4386799353","https://openalex.org/W4392648169","https://openalex.org/W6646876513","https://openalex.org/W6717330108"],"related_works":["https://openalex.org/W3175308972","https://openalex.org/W4385893574","https://openalex.org/W2416666898","https://openalex.org/W7117834576","https://openalex.org/W1790815918","https://openalex.org/W3159155173","https://openalex.org/W1964907126","https://openalex.org/W3202791548","https://openalex.org/W2931826438","https://openalex.org/W2601052279"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":4},{"year":2025,"cited_by_count":6}],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2025-04-15T00:00:00"}
