{"id":"https://openalex.org/W4415522596","doi":"https://doi.org/10.1007/s10822-025-00689-y","title":"Synthesis, characterization, docking, MD simulation, and evaluation of antiproliferative effectiveness of new 4-aminobenzophenone derivatives","display_name":"Synthesis, characterization, docking, MD simulation, and evaluation of antiproliferative effectiveness of new 4-aminobenzophenone derivatives","publication_year":2025,"publication_date":"2025-10-24","ids":{"openalex":"https://openalex.org/W4415522596","doi":"https://doi.org/10.1007/s10822-025-00689-y","pmid":"https://pubmed.ncbi.nlm.nih.gov/41136679"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-025-00689-y","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-025-00689-y","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"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/A5106205187","display_name":"M\u00fcge Mu\u015fmula","orcid":"https://orcid.org/0000-0001-9442-5058"},"institutions":[{"id":"https://openalex.org/I175124709","display_name":"S\u00fcleyman Demirel University","ror":"https://ror.org/04fjtte88","country_code":"TR","type":"education","lineage":["https://openalex.org/I175124709"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"Muge Musmula","raw_affiliation_strings":["Faculty of Medicine, Department of Medical Pharmacology, Institute of Health Sciences, Suleyman Demirel University, 32260, Isparta, Turkey"],"affiliations":[{"raw_affiliation_string":"Faculty of Medicine, Department of Medical Pharmacology, Institute of Health Sciences, Suleyman Demirel University, 32260, Isparta, Turkey","institution_ids":["https://openalex.org/I175124709"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102007797","display_name":"Dicle Sahin","orcid":"https://orcid.org/0000-0002-1488-8683"},"institutions":[{"id":"https://openalex.org/I175124709","display_name":"S\u00fcleyman Demirel University","ror":"https://ror.org/04fjtte88","country_code":"TR","type":"education","lineage":["https://openalex.org/I175124709"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"Dicle Sahin","raw_affiliation_strings":["Department of Pharmaceutical Research and Development, Institute of Health Sciences, Suleyman Demirel University, 32200, Isparta, Turkey"],"affiliations":[{"raw_affiliation_string":"Department of Pharmaceutical Research and Development, Institute of Health Sciences, Suleyman Demirel University, 32200, Isparta, Turkey","institution_ids":["https://openalex.org/I175124709"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037159151","display_name":"Muhammed T\u0131lahun Muhammed","orcid":"https://orcid.org/0000-0003-0050-5271"},"institutions":[{"id":"https://openalex.org/I175124709","display_name":"S\u00fcleyman Demirel University","ror":"https://ror.org/04fjtte88","country_code":"TR","type":"education","lineage":["https://openalex.org/I175124709"]}],"countries":["TR"],"is_corresponding":false,"raw_author_name":"Muhammed Tilahun Muhammed","raw_affiliation_strings":["Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Suleyman Demirel University, 32260, Isparta, Turkey"],"affiliations":[{"raw_affiliation_string":"Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Suleyman Demirel University, 32260, Isparta, Turkey","institution_ids":["https://openalex.org/I175124709"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5080272183","display_name":"Sadeq K. Alhag","orcid":"https://orcid.org/0000-0001-6695-6492"},"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":"Sadeq K. Alhag","raw_affiliation_strings":["Health Specialties, Basic Sciences and Applications Unit, Applied College, King Khalid University, 61421, Mohayil Asir Abha, Saudi Arabia"],"affiliations":[{"raw_affiliation_string":"Health Specialties, Basic Sciences and Applications Unit, Applied College, King Khalid University, 61421, Mohayil Asir Abha, Saudi Arabia","institution_ids":["https://openalex.org/I82952536"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5090982262","display_name":"Laila A. Al\u2010Shuraym","orcid":null},"institutions":[{"id":"https://openalex.org/I106778892","display_name":"Princess Nourah bint Abdulrahman University","ror":"https://ror.org/05b0cyh02","country_code":"SA","type":"education","lineage":["https://openalex.org/I106778892"]}],"countries":["SA"],"is_corresponding":false,"raw_author_name":"Laila A. Al-Shuraym","raw_affiliation_strings":["Faculty of Science, Biology Department, Princess Nourah Bint Abdulrahman University, Riyadh, Saudi Arabia"],"affiliations":[{"raw_affiliation_string":"Faculty of Science, Biology Department, Princess Nourah Bint Abdulrahman University, Riyadh, Saudi Arabia","institution_ids":["https://openalex.org/I106778892"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5069734731","display_name":"Senem Akko\u00e7","orcid":"https://orcid.org/0000-0001-8913-757X"},"institutions":[{"id":"https://openalex.org/I128277893","display_name":"Bah\u00e7e\u015fehir University","ror":"https://ror.org/00yze4d93","country_code":"TR","type":"education","lineage":["https://openalex.org/I128277893"]},{"id":"https://openalex.org/I175124709","display_name":"S\u00fcleyman Demirel University","ror":"https://ror.org/04fjtte88","country_code":"TR","type":"education","lineage":["https://openalex.org/I175124709"]}],"countries":["TR"],"is_corresponding":true,"raw_author_name":"Senem Akkoc","raw_affiliation_strings":["Faculty of Engineering and Natural Sciences, Bah\u00e7e\u015fehir University, 34349, Istanbul, Turkey. senemakkoc@sdu.edu.tr","Faculty of Pharmacy, Department of Basic Pharmaceutical Sciences, Suleyman Demirel University, 32260, Isparta, Turkey. senemakkoc@sdu.edu.tr","Faculty of Pharmacy, Department of Basic Pharmaceutical Sciences, Suleyman Demirel University, 32260, Isparta, Turkey","Faculty of Engineering and Natural Sciences, Bah\u00e7e\u015fehir University, 34349, Istanbul, Turkey"],"affiliations":[{"raw_affiliation_string":"Faculty of Engineering and Natural Sciences, Bah\u00e7e\u015fehir University, 34349, Istanbul, Turkey. senemakkoc@sdu.edu.tr","institution_ids":[]},{"raw_affiliation_string":"Faculty of Pharmacy, Department of Basic Pharmaceutical Sciences, Suleyman Demirel University, 32260, Isparta, Turkey. senemakkoc@sdu.edu.tr","institution_ids":[]},{"raw_affiliation_string":"Faculty of Pharmacy, Department of Basic Pharmaceutical Sciences, Suleyman Demirel University, 32260, Isparta, Turkey","institution_ids":["https://openalex.org/I175124709"]},{"raw_affiliation_string":"Faculty of Engineering and Natural Sciences, Bah\u00e7e\u015fehir University, 34349, Istanbul, Turkey","institution_ids":["https://openalex.org/I128277893"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5069734731"],"corresponding_institution_ids":["https://openalex.org/I128277893","https://openalex.org/I175124709"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.31773839,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"39","issue":"2","first_page":"106","last_page":"106"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10274","display_name":"Synthesis and biological activity","score":0.9995999932289124,"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/T11440","display_name":"Click Chemistry and Applications","score":0.996399998664856,"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/in-silico","display_name":"In silico","score":0.6790000200271606},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.5303999781608582},{"id":"https://openalex.org/keywords/binding-affinities","display_name":"Binding affinities","score":0.5285000205039978},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"Molecular dynamics","score":0.5264000296592712},{"id":"https://openalex.org/keywords/molecular-model","display_name":"Molecular model","score":0.4505000114440918},{"id":"https://openalex.org/keywords/aldehyde","display_name":"Aldehyde","score":0.44359999895095825},{"id":"https://openalex.org/keywords/affinities","display_name":"Affinities","score":0.42750000953674316}],"concepts":[{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.7268000245094299},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.6790000200271606},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.5462999939918518},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5303999781608582},{"id":"https://openalex.org/C3018795828","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Binding affinities","level":3,"score":0.5285000205039978},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.5264000296592712},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.451200008392334},{"id":"https://openalex.org/C178910836","wikidata":"https://www.wikidata.org/wiki/Q2196961","display_name":"Molecular model","level":2,"score":0.4505000114440918},{"id":"https://openalex.org/C2779825165","wikidata":"https://www.wikidata.org/wiki/Q101497","display_name":"Aldehyde","level":3,"score":0.44359999895095825},{"id":"https://openalex.org/C2780283098","wikidata":"https://www.wikidata.org/wiki/Q4688960","display_name":"Affinities","level":2,"score":0.42750000953674316},{"id":"https://openalex.org/C84425145","wikidata":"https://www.wikidata.org/wiki/Q422492","display_name":"Tubulin","level":3,"score":0.382999986410141},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.3732999861240387},{"id":"https://openalex.org/C193042331","wikidata":"https://www.wikidata.org/wiki/Q1772003","display_name":"Structure\u2013activity relationship","level":3,"score":0.35830000042915344},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.3125999867916107},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.3109000027179718},{"id":"https://openalex.org/C186399102","wikidata":"https://www.wikidata.org/wiki/Q903517","display_name":"Chemical stability","level":2,"score":0.29249998927116394},{"id":"https://openalex.org/C114373084","wikidata":"https://www.wikidata.org/wiki/Q273499","display_name":"Chemical synthesis","level":3,"score":0.2824000120162964},{"id":"https://openalex.org/C116073593","wikidata":"https://www.wikidata.org/wiki/Q864491","display_name":"Biological activity","level":3,"score":0.27959999442100525},{"id":"https://openalex.org/C202751555","wikidata":"https://www.wikidata.org/wiki/Q221681","display_name":"In vitro","level":2,"score":0.27959999442100525},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.27489998936653137},{"id":"https://openalex.org/C2776120743","wikidata":"https://www.wikidata.org/wiki/Q3271540","display_name":"Mechanism of action","level":3,"score":0.2502000033855438}],"mesh":[{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D000970","descriptor_name":"Antineoplastic Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D001577","descriptor_name":"Benzophenones","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":true},{"descriptor_ui":"D001577","descriptor_name":"Benzophenones","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":true},{"descriptor_ui":"D001577","descriptor_name":"Benzophenones","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":true},{"descriptor_ui":"D001577","descriptor_name":"Benzophenones","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D001577","descriptor_name":"Benzophenones","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D001577","descriptor_name":"Benzophenones","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D001577","descriptor_name":"Benzophenones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D001577","descriptor_name":"Benzophenones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D001577","descriptor_name":"Benzophenones","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013329","descriptor_name":"Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014404","descriptor_name":"Tubulin","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D014404","descriptor_name":"Tubulin","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D014404","descriptor_name":"Tubulin","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":true},{"descriptor_ui":"D014404","descriptor_name":"Tubulin","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D014404","descriptor_name":"Tubulin","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D014404","descriptor_name":"Tubulin","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D045744","descriptor_name":"Cell Line, Tumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D045744","descriptor_name":"Cell Line, Tumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D045744","descriptor_name":"Cell Line, Tumor","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D049109","descriptor_name":"Cell Proliferation","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D049109","descriptor_name":"Cell Proliferation","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D049109","descriptor_name":"Cell Proliferation","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":true},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":true},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000138","qualifier_name":"chemical synthesis","is_major_topic":true},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D050257","descriptor_name":"Tubulin Modulators","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D056004","descriptor_name":"Molecular Dynamics Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-025-00689-y","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-025-00689-y","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:41136679","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41136679","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1243713679","display_name":null,"funder_award_id":"TSG-2024-9516","funder_id":"https://openalex.org/F4320323014","funder_display_name":"S\u00fcleyman Demirel \u00dcniversitesi"},{"id":"https://openalex.org/G350470282","display_name":null,"funder_award_id":"PNURSP2025R365","funder_id":"https://openalex.org/F4320322484","funder_display_name":"Princess Nourah Bint Abdulrahman University"},{"id":"https://openalex.org/G360200045","display_name":null,"funder_award_id":"R.G.P.2/31/46","funder_id":"https://openalex.org/F33954902","funder_display_name":"Deanship of Scientific Research, King Khalid University"}],"funders":[{"id":"https://openalex.org/F33954902","display_name":"Deanship of Scientific Research, King Khalid University","ror":null},{"id":"https://openalex.org/F4320322484","display_name":"Princess Nourah Bint Abdulrahman University","ror":"https://ror.org/05b0cyh02"},{"id":"https://openalex.org/F4320323014","display_name":"S\u00fcleyman Demirel \u00dcniversitesi","ror":"https://ror.org/04fjtte88"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":38,"referenced_works":["https://openalex.org/W1031578623","https://openalex.org/W1989892577","https://openalex.org/W2005308681","https://openalex.org/W2019514608","https://openalex.org/W2060370107","https://openalex.org/W2060433756","https://openalex.org/W2095719702","https://openalex.org/W2100173894","https://openalex.org/W2131696731","https://openalex.org/W2134967712","https://openalex.org/W2140765540","https://openalex.org/W2147594462","https://openalex.org/W2325421774","https://openalex.org/W2587319550","https://openalex.org/W2888447391","https://openalex.org/W3088016940","https://openalex.org/W3092311102","https://openalex.org/W3097308525","https://openalex.org/W3158138032","https://openalex.org/W3202287440","https://openalex.org/W3210151659","https://openalex.org/W3213024602","https://openalex.org/W4223957658","https://openalex.org/W4296830446","https://openalex.org/W4297251868","https://openalex.org/W4308329717","https://openalex.org/W4312194901","https://openalex.org/W4313214987","https://openalex.org/W4318450134","https://openalex.org/W4319084002","https://openalex.org/W4379141332","https://openalex.org/W4390749546","https://openalex.org/W4394934376","https://openalex.org/W4396802160","https://openalex.org/W4399940180","https://openalex.org/W4401158003","https://openalex.org/W4407570641","https://openalex.org/W4414444838"],"related_works":[],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-04-09T08:11:56.329763","created_date":"2025-10-24T00:00:00"}