{"id":"https://openalex.org/W7159792152","doi":"https://doi.org/10.36602/sjfe.2026.v13.i01.03","title":"Computational Discovery of High-Affinity MCL-1 Binders as Promising Therapeutic Candidates for Breast Cancer.","display_name":"Computational Discovery of High-Affinity MCL-1 Binders as Promising Therapeutic Candidates for Breast Cancer.","publication_year":2026,"publication_date":"2026-04-28","ids":{"openalex":"https://openalex.org/W7159792152","doi":"https://doi.org/10.36602/sjfe.2026.v13.i01.03"},"language":"en","primary_location":{"id":"doi:10.36602/sjfe.2026.v13.i01.03","doi":"https://doi.org/10.36602/sjfe.2026.v13.i01.03","is_oa":true,"landing_page_url":"https://doi.org/10.36602/sjfe.2026.v13.i01.03","pdf_url":"https://journals.misuratau.edu.ly/edu/ojs/index.php/eduction/article/download/747/562","source":{"id":"https://openalex.org/S7407057423","display_name":"Scientific Journal of Faculty of Education Misurata University","issn_l":"2710-4141","issn":["2710-4141"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I152195623","host_organization_name":"Misurata University","host_organization_lineage":["https://openalex.org/I152195623"],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific Journal of Faculty of Education, Misurata University","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"bronze","oa_url":"https://journals.misuratau.edu.ly/edu/ojs/index.php/eduction/article/download/747/562","any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5037973658","display_name":"Ahmed Nouri Alsharksi","orcid":"https://orcid.org/0000-0003-3496-7765","observed_orcids":["https://orcid.org/0000-0003-3496-7765"]},"institutions":[{"id":"https://openalex.org/I152195623","display_name":"Misurata University","ror":"https://ror.org/014fcf271","country_code":"LY","type":"education","lineage":["https://openalex.org/I152195623"]}],"countries":["LY"],"is_corresponding":false,"raw_author_name":"Ahmed Nouri Alsharksi1","raw_affiliation_strings":["University  Misurata"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University  Misurata","institution_ids":["https://openalex.org/I152195623"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5023772939","display_name":"Abdalla Ali Salim","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I152195623","display_name":"Misurata University","ror":"https://ror.org/014fcf271","country_code":"LY","type":"education","lineage":["https://openalex.org/I152195623"]}],"countries":["LY"],"is_corresponding":false,"raw_author_name":"Abdalla Ali Salim2","raw_affiliation_strings":["University  Misurata"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University  Misurata","institution_ids":["https://openalex.org/I152195623"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108826646","display_name":"Adam Mustapha","orcid":"https://orcid.org/0000-0001-7218-8741","observed_orcids":["https://orcid.org/0000-0001-7218-8741"]},"institutions":[{"id":"https://openalex.org/I64351976","display_name":"University of Maiduguri","ror":"https://ror.org/016na8197","country_code":"NG","type":"education","lineage":["https://openalex.org/I64351976"]}],"countries":["NG"],"is_corresponding":false,"raw_author_name":"Adam Mustapha3","raw_affiliation_strings":["University of Maiduguri"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Maiduguri","institution_ids":["https://openalex.org/I64351976"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5122377823","display_name":"Asma Ali Abudabbous","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I152195623","display_name":"Misurata University","ror":"https://ror.org/014fcf271","country_code":"LY","type":"education","lineage":["https://openalex.org/I152195623"]}],"countries":["LY"],"is_corresponding":false,"raw_author_name":"Asma Ali Abudabbous4","raw_affiliation_strings":["University  Misurata"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University  Misurata","institution_ids":["https://openalex.org/I152195623"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5135050276","display_name":"Adam mohammed Mustapha3","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I64351976","display_name":"University of Maiduguri","ror":"https://ror.org/016na8197","country_code":"NG","type":"education","lineage":["https://openalex.org/I64351976"]}],"countries":["NG"],"is_corresponding":false,"raw_author_name":"Adam mohammed Mustapha3","raw_affiliation_strings":["University of Maiduguri"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"University of Maiduguri","institution_ids":["https://openalex.org/I64351976"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"13","issue":"01","first_page":"75","last_page":"86"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9980000257492065,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12257","display_name":"Bioactive natural compounds","score":0.0003000000142492354,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T14521","display_name":"Medicinal Plant Research","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/mcl-1-inhibitors","display_name":"Mcl-1 inhibitors","score":0.902999997138977},{"id":"https://openalex.org/keywords/breast-cancer","display_name":"breast cancer","score":0.9950000047683716},{"id":"https://openalex.org/keywords/anti-apoptotic-proteins","display_name":"anti-apoptotic proteins","score":0.7609999775886536},{"id":"https://openalex.org/keywords/apoptosis","display_name":"apoptosis","score":0.4690000116825104},{"id":"https://openalex.org/keywords/phytochemicals","display_name":"phytochemicals","score":0.7900000214576721},{"id":"https://openalex.org/keywords/indian-medicinal-plants","display_name":"Indian medicinal plants","score":0.6890000104904175},{"id":"https://openalex.org/keywords/drug-likeness","display_name":"drug-likeness","score":0.6970000267028809},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.5889999866485596},{"id":"https://openalex.org/keywords/pharmacokinetics","display_name":"pharmacokinetics","score":0.6959999799728394},{"id":"https://openalex.org/keywords/computer-aided-drug-discovery","display_name":"computational drug discovery","score":0.4690000116825104}],"concepts":[{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.7268000245094299},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.7261999845504761},{"id":"https://openalex.org/C530470458","wikidata":"https://www.wikidata.org/wiki/Q128581","display_name":"Breast cancer","level":3,"score":0.5940999984741211},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5831000208854675},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5769000053405762},{"id":"https://openalex.org/C65556437","wikidata":"https://www.wikidata.org/wiki/Q766195","display_name":"Protein Data Bank (RCSB PDB)","level":2,"score":0.46380001306533813},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.4226999878883362},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.37619999051094055},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.35839998722076416},{"id":"https://openalex.org/C11804247","wikidata":"https://www.wikidata.org/wiki/Q896177","display_name":"Protein\u2013protein interaction","level":2,"score":0.3578999936580658},{"id":"https://openalex.org/C119145174","wikidata":"https://www.wikidata.org/wiki/Q7251429","display_name":"Protein Data Bank","level":3,"score":0.3544999957084656},{"id":"https://openalex.org/C2780035454","wikidata":"https://www.wikidata.org/wiki/Q8386","display_name":"Drug","level":2,"score":0.34929999709129333},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.3393999934196472},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.3273000121116638},{"id":"https://openalex.org/C502942594","wikidata":"https://www.wikidata.org/wiki/Q3421914","display_name":"Cancer research","level":1,"score":0.3176000118255615},{"id":"https://openalex.org/C121608353","wikidata":"https://www.wikidata.org/wiki/Q12078","display_name":"Cancer","level":2,"score":0.2962000072002411},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.29330000281333923},{"id":"https://openalex.org/C152662350","wikidata":"https://www.wikidata.org/wiki/Q815297","display_name":"Systems biology","level":2,"score":0.2565999925136566},{"id":"https://openalex.org/C64903051","wikidata":"https://www.wikidata.org/wiki/Q2198549","display_name":"Drug development","level":3,"score":0.25529998540878296},{"id":"https://openalex.org/C1491633281","wikidata":"https://www.wikidata.org/wiki/Q7868","display_name":"Cell","level":2,"score":0.2547999918460846},{"id":"https://openalex.org/C3020199158","wikidata":"https://www.wikidata.org/wiki/Q210521","display_name":"High resolution","level":2,"score":0.2540000081062317},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.25200000405311584}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.36602/sjfe.2026.v13.i01.03","doi":"https://doi.org/10.36602/sjfe.2026.v13.i01.03","is_oa":true,"landing_page_url":"https://doi.org/10.36602/sjfe.2026.v13.i01.03","pdf_url":"https://journals.misuratau.edu.ly/edu/ojs/index.php/eduction/article/download/747/562","source":{"id":"https://openalex.org/S7407057423","display_name":"Scientific Journal of Faculty of Education Misurata University","issn_l":"2710-4141","issn":["2710-4141"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I152195623","host_organization_name":"Misurata University","host_organization_lineage":["https://openalex.org/I152195623"],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific Journal of Faculty of Education, Misurata University","raw_type":"journal-article"}],"best_oa_location":{"id":"doi:10.36602/sjfe.2026.v13.i01.03","doi":"https://doi.org/10.36602/sjfe.2026.v13.i01.03","is_oa":true,"landing_page_url":"https://doi.org/10.36602/sjfe.2026.v13.i01.03","pdf_url":"https://journals.misuratau.edu.ly/edu/ojs/index.php/eduction/article/download/747/562","source":{"id":"https://openalex.org/S7407057423","display_name":"Scientific Journal of Faculty of Education Misurata University","issn_l":"2710-4141","issn":["2710-4141"],"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I152195623","host_organization_name":"Misurata University","host_organization_lineage":["https://openalex.org/I152195623"],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Scientific Journal of Faculty of Education, Misurata University","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.9763000011444092,"display_name":"Good health and well-being"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W7159792152.pdf","grobid_xml":"https://content.openalex.org/works/W7159792152.grobid-xml"},"referenced_works_count":10,"referenced_works":["https://openalex.org/W2589060305","https://openalex.org/W2980622391","https://openalex.org/W3005354439","https://openalex.org/W3111876889","https://openalex.org/W3154819335","https://openalex.org/W4206841660","https://openalex.org/W4317438438","https://openalex.org/W4391722804","https://openalex.org/W4394691735","https://openalex.org/W4402693812"],"related_works":["https://openalex.org/W4386989559","https://openalex.org/W4383481385","https://openalex.org/W4408490624","https://openalex.org/W6901995889","https://openalex.org/W4412662666","https://openalex.org/W7128922043","https://openalex.org/W7118069589","https://openalex.org/W7125612891","https://openalex.org/W4310018107","https://openalex.org/W4406874165"],"abstract_inverted_index":{":":[0],"Breast":[1],"cancer":[2,43],"remains":[3],"one":[4],"of":[5,9,17,27,32,73,76,86,106,128,137,170,200,204,216],"the":[6,33,69,87,94,107,129,135,159,167,171,187,201,223,232],"leading":[7],"causes":[8],"cancer-related":[10],"mortality":[11],"among":[12],"women":[13],"worldwide.":[14],"The":[15,64,83,104,214],"dysregulation":[16],"apoptosis-related":[18],"signaling":[19],"pathways":[20],"has":[21],"been":[22],"recognized":[23],"as":[24],"a":[25,100],"hallmark":[26],"breast":[28,240],"tumorigenesis,":[29],"where":[30],"overexpression":[31],"anti-apoptotic":[34],"protein":[35,89,140],"Myeloid":[36],"Cell":[37],"Leukemia-1":[38],"(MCL-1)":[39],"contributes":[40],"significantly":[41],"to":[42,48,124,157,182,209,234,246],"cell":[44],"survival":[45],"and":[46,62,71,117,164,195,229,252],"resistance":[47],"therapy.":[49],"As":[50],"such,":[51],"MCL-1":[52,77,88,139],"represents":[53],"an":[54],"essential":[55],"therapeutic":[56,237],"target":[57],"for":[58],"rational":[59],"drug":[60],"design":[61],"discovery.":[63],"present":[65],"study":[66,169,185,218],"focuses":[67],"on":[68],"identification":[70],"characterization":[72],"potential":[74,136,233],"inhibitors":[75],"using":[78,147,186],"in":[79,250],"silico":[80],"computational":[81],"study.":[82],"PDB":[84],"ID":[85],"(5FDR)":[90],"was":[91,122,145,155],"retrieved":[92],"from":[93,222],"Protein":[95],"Data":[96],"Bank":[97],"(https://www.rcsb.org/structure/5FDR)":[98],"with":[99,134,197],"small":[101],"molecule":[102],"inhibitor.":[103],"resolution":[105],"structure":[108],"is":[109,244],"at":[110],"2.60":[111],"\u00c5.":[112],"Indian":[113],"Medicinal":[114],"Plants,":[115],"Phytochemistry":[116],"Therapeutics":[118],"(IMPPAT":[119],"2.0)":[120],"database":[121],"utilized":[123],"identify":[125],"relevant":[126],"phytochemicals":[127,133,175,221],"Pinnaceae":[130,224],"family.":[131],"170":[132,172],"inhibiting":[138],"were":[141],"retrieved.":[142],"Molecular":[143],"docking":[144,168],"performed":[146],"Molegro":[148],"Virtual":[149],"Docker":[150],"2013":[151],"V6.0.":[152],"ProteinPlus":[153],"server":[154,189],"used":[156],"show":[158,176],"2D":[160],"interactions":[161],"between":[162,180],"ligands":[163],"protein.":[165],"From":[166],"phytochemicals,":[173],"10":[174],"high":[177,211],"MolDock":[178],"Score":[179],"-120.39":[181],"-144.272.":[183],"Pharmacokinetics":[184],"SwissAdme":[188],"reveals":[190],"3":[191],"compounds":[192],"(IMPHY000001,":[193],"IMPHY003007,":[194,228],"IMPHY012983)":[196],"no":[198],"violation":[199],"Lipinski\u2019s":[202],"rule":[203],"5,":[205],"thereby":[206],"rending":[207],"them":[208],"have":[210,231],"drug-likeness":[212],"property.":[213],"findings":[215,249],"this":[217],"suggest":[219],"that":[220],"family":[225],"especially":[226],"IMPHY000001,":[227],"IMPHY012983":[230],"be":[235],"A":[236],"agent":[238],"against":[239],"cancer.":[241],"Further":[242],"research":[243],"needed":[245],"validate":[247],"these":[248],"experimental":[251],"clinical":[253],"settings":[254]},"counts_by_year":[],"updated_date":"2026-11-04T10:54:05.112534","created_date":"2026-05-03T00:00:00"}
