{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,16]],"date-time":"2026-09-16T12:10:12Z","timestamp":1789560612753,"version":"build-2803163510"},"reference-count":45,"publisher":"Elsevier BV","issue":"3","license":[{"start":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T00:00:00Z","timestamp":1788220800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T00:00:00Z","timestamp":1788220800000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,6,15]],"date-time":"2026-06-15T00:00:00Z","timestamp":1781481600000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Journal of Genetic Engineering and Biotechnology"],"published-print":{"date-parts":[[2026,9]]},"DOI":"10.1016\/j.jgeb.2026.100747","type":"journal-article","created":{"date-parts":[[2026,6,29]],"date-time":"2026-06-29T09:42:19Z","timestamp":1782726139000},"page":"100747","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"title":["Structure-based identification of small-molecule stabilizers targeting mutant TP53 (Y220C) in breast cancer: a pharmacophore modeling, molecular docking and dynamics study"],"prefix":"10.1016","volume":"24","author":[{"given":"Peter Jerome Ishmael V","family":"Paulino","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohammad Tasyriq Che","family":"Omar","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"issue":"1","key":"10.1016\/j.jgeb.2026.100747_bb0005","first-page":"10","article-title":"Cancer statistics","volume":"75","author":"Siegel","year":"2025","journal-title":"CA Cancer J Clin"},{"issue":"8","key":"10.1016\/j.jgeb.2026.100747_bb0010","doi-asserted-by":"crossref","DOI":"10.3390\/jpm11080808","article-title":"Breast Cancer treatments: updates and new challenges","volume":"11","author":"Burguin","year":"2021","journal-title":"J Pers Med"},{"issue":"4","key":"10.1016\/j.jgeb.2026.100747_bb0015","doi-asserted-by":"crossref","first-page":"1421","DOI":"10.7150\/thno.81847","article-title":"Role of p53 in breast cancer progression: an insight into p53 targeted therapy","volume":"13","author":"Marvalim","year":"2023","journal-title":"Theranostics"},{"issue":"4","key":"10.1016\/j.jgeb.2026.100747_bb0020","doi-asserted-by":"crossref","first-page":"309","DOI":"10.3390\/radiation4040023","article-title":"Exploring the role of p53 in radiosensitivity: a key player in Cancer therapy","volume":"4","author":"Al-Arafat","year":"2024","journal-title":"Radiation"},{"issue":"1\u20132","key":"10.1016\/j.jgeb.2026.100747_bb0025","doi-asserted-by":"crossref","first-page":"4","DOI":"10.1101\/gad.353408.125","article-title":"Mutant p53: evolving perspectives","volume":"40","author":"Efe","year":"2026","journal-title":"Genes Dev"},{"issue":"1","key":"10.1016\/j.jgeb.2026.100747_bb0030","doi-asserted-by":"crossref","first-page":"a001008","DOI":"10.1101\/cshperspect.a001008","article-title":"TP53 mutations in human cancers: origins, consequences, and clinical use","volume":"2","author":"Olivier","year":"2010","journal-title":"Cold Spring Harb Perspect Biol"},{"issue":"3","key":"10.1016\/j.jgeb.2026.100747_bb0035","first-page":"1","article-title":"The role of TP53: a key tumor suppressor gene in Cancer prevention","volume":"8","author":"Kwon","year":"2024","journal-title":"Res J Oncol"},{"issue":"6","key":"10.1016\/j.jgeb.2026.100747_bb0040","doi-asserted-by":"crossref","DOI":"10.1038\/s41419-024-06739-x","article-title":"Structural basis of p53 inactivation by cavity-creating cancer mutations and its implications for the development of mutant p53 reactivators","volume":"15","author":"Balourdas","year":"2024","journal-title":"Cell Death Dis"},{"issue":"8","key":"10.1016\/j.jgeb.2026.100747_bb0045","doi-asserted-by":"crossref","first-page":"1053","DOI":"10.1016\/S0959-8049(03)00063-7","article-title":"Improving cancer therapy by non-genotoxic activation of p53","volume":"39","author":"Lain","year":"2003","journal-title":"Eur J Cancer"},{"issue":"5","key":"10.1016\/j.jgeb.2026.100747_bb0050","doi-asserted-by":"crossref","first-page":"8921","DOI":"10.18632\/oncotarget.13475","article-title":"The role of p53 in cancer drug resistance and targeted chemotherapy","volume":"8","author":"Hientz","year":"2016","journal-title":"Oncotarget"},{"issue":"147","key":"10.1016\/j.jgeb.2026.100747_bb0055","doi-asserted-by":"crossref","first-page":"161","DOI":"10.1016\/j.colsurfb.2016.07.060","article-title":"Multi-functional vesicles for cancer therapy: the ultimate magic bullet","volume":"1","author":"Tavano","year":"2016","journal-title":"Colloids Surf B Biointerfaces"},{"issue":"7","key":"10.1016\/j.jgeb.2026.100747_bb0060","doi-asserted-by":"crossref","first-page":"6847","DOI":"10.1021\/acs.jmedchem.5c00670","article-title":"Rezatapopt (PC14586): a first-in-class small molecule p53 Y220C mutant protein stabilizer in clinical trials","volume":"68","author":"Ma","year":"2025","journal-title":"J Med Chem"},{"issue":"1","key":"10.1016\/j.jgeb.2026.100747_bb0065","doi-asserted-by":"crossref","first-page":"29","DOI":"10.3390\/md20010029","article-title":"Structure-based pharmacophore Modeling, virtual screening, molecular docking, ADMET, and molecular dynamics (MD) simulation of potential inhibitors of PD-L1 from the library of marine natural products","volume":"20","author":"Luo","year":"2021","journal-title":"Mar Drugs"},{"issue":"1","key":"10.1016\/j.jgeb.2026.100747_bb0070","doi-asserted-by":"crossref","DOI":"10.3390\/pr9010071","article-title":"Molecular dynamics simulations in drug discovery and pharmaceutical development","volume":"9","author":"Salo-Ahen","year":"2021","journal-title":"Processes"},{"issue":"1","key":"10.1016\/j.jgeb.2026.100747_bb0075","doi-asserted-by":"crossref","DOI":"10.1038\/srep42717","article-title":"SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules","volume":"7","author":"Daina","year":"2017","journal-title":"Sci Rep"},{"issue":"1","key":"10.1016\/j.jgeb.2026.100747_bb0080","doi-asserted-by":"crossref","DOI":"10.1002\/jbma.70028","article-title":"Advances in 3D organoids and organ-on-a-Chip Systems for biomedical research","volume":"114","author":"Sakthivel","year":"2026","journal-title":"J Biomed Mater Res A"},{"key":"10.1016\/j.jgeb.2026.100747_bb0085","doi-asserted-by":"crossref","DOI":"10.1016\/j.bbrc.2025.151853","article-title":"Anti-cancer potential of chitosan-starch selenium nanocomposite: targeting osteoblastoma and insights of molecular docking","volume":"765","author":"R","year":"2025","journal-title":"Biochem Biophys Res Commun"},{"issue":"4","key":"10.1016\/j.jgeb.2026.100747_bb0090","doi-asserted-by":"crossref","first-page":"610","DOI":"10.1007\/s12668-025-02171-3","article-title":"Mechanistic insights into the anti-cancer activity of Nanosulfur-doped zinc oxide-chitosan-PVA-PEG nanocomposite in MDA-MB-231 triple-negative breast Cancer cells","volume":"15","author":"Abiraamavalli","year":"2025","journal-title":"BioNanoSci"},{"issue":"1","key":"10.1016\/j.jgeb.2026.100747_bb0095","doi-asserted-by":"crossref","DOI":"10.1007\/s13205-025-04649-z","volume":"16","author":"Anand Raj","year":"2025","journal-title":"3 Biotech"},{"key":"10.1016\/j.jgeb.2026.100747_bb0100","doi-asserted-by":"crossref","DOI":"10.1016\/j.compbiolchem.2025.108455","article-title":"Black seed (Nigella sativa) extract enhances early and late apoptosis through activation of caspase-3 mediated regulatory pathway in LC540 cells: a network pharmacological and molecular docking approach","volume":"118","author":"Gopi","year":"2025","journal-title":"Comput Biol Chem"},{"key":"10.1016\/j.jgeb.2026.100747_bb0105","doi-asserted-by":"crossref","DOI":"10.1016\/j.compbiolchem.2024.108134","article-title":"Targeting cyclin-dependent kinase 2 CDK2: insights from molecular docking and dynamics simulation - a systematic computational approach to discover novel cancer therapeutics","volume":"112","author":"Chagaleti","year":"2024","journal-title":"Comput Biol Chem"},{"issue":"1A","key":"10.1016\/j.jgeb.2026.100747_bb0110","doi-asserted-by":"crossref","first-page":"A68","DOI":"10.5114\/wo.2014.47136","article-title":"Review the Cancer Genome Atlas (TCGA): an immeasurable source of knowledge","volume":"19","author":"Tomczak","year":"2015","journal-title":"Wspolczesna Onkol"},{"issue":"1","key":"10.1016\/j.jgeb.2026.100747_bb0115","doi-asserted-by":"crossref","DOI":"10.1021\/acsmedchemlett.4c00379","article-title":"Discovery of Rezatapopt (PC14586), a first-in-class, small-molecule reactivator of p53 Y220C mutant in development","volume":"16","author":"Vu","year":"2025","journal-title":"ACS Med Chem Lett"},{"issue":"Web Server issue","key":"10.1016\/j.jgeb.2026.100747_bb0120","article-title":"Pharmit: interactive exploration of chemical space","volume":"44","author":"Sunseri","year":"2016","journal-title":"Nucleic Acids Res"},{"issue":"7","key":"10.1016\/j.jgeb.2026.100747_bb0125","doi-asserted-by":"crossref","first-page":"2719","DOI":"10.1021\/jm901137j","article-title":"New substructure filters for removal of pan assay interference compounds (PAINS) from screening libraries and for their exclusion in bioassays","volume":"53","author":"Baell","year":"2010","journal-title":"J Med Chem"},{"issue":"W1","key":"10.1016\/j.jgeb.2026.100747_bb0130","doi-asserted-by":"crossref","first-page":"W513","DOI":"10.1093\/nar\/gkae303","article-title":"ProTox 3.0: a webserver for the prediction of toxicity of chemicals","volume":"52","author":"Banerjee","year":"2024","journal-title":"Nucleic Acids Res"},{"issue":"4","key":"10.1016\/j.jgeb.2026.100747_bb0135","doi-asserted-by":"crossref","first-page":"671","DOI":"10.1002\/jcc.21367","article-title":"CHARMM general force field: A force field for drug\u2010like molecules compatible with the CHARMM all\u2010atom additive biological force fields","volume":"31","author":"Vanommeslaeghe","year":"2010","journal-title":"J Comput Chem"},{"issue":"21","key":"10.1016\/j.jgeb.2026.100747_bb0140","doi-asserted-by":"crossref","first-page":"2695","DOI":"10.1093\/bioinformatics\/btl461","article-title":"Bio3d: an R package for the comparative analysis of protein structures","volume":"22","author":"Grant","year":"2006","journal-title":"Bioinformatics"},{"issue":"2","key":"10.1016\/j.jgeb.2026.100747_bb0145","doi-asserted-by":"crossref","first-page":"127","DOI":"10.1038\/s41573-022-00571-8","article-title":"Drugging p53 in cancer: one protein, many targets","volume":"22","author":"Hassin","year":"2023","journal-title":"Nat Rev Drug Discov"},{"key":"10.1016\/j.jgeb.2026.100747_bb0150","article-title":"Activating p53Y220C with a mutant-specific small molecule","author":"Zhu","year":"2024","journal-title":"bioRxiv"},{"issue":"23","key":"10.1016\/j.jgeb.2026.100747_bb0155","doi-asserted-by":"crossref","first-page":"12945","DOI":"10.1021\/acs.jcim.5c02062","article-title":"Mechanistic insights into the allosteric regulation of P53 Y220C by small-molecule stabilizers","volume":"65","author":"Wen","year":"2025","journal-title":"J Chem Inf Model"},{"issue":"16","key":"10.1016\/j.jgeb.2026.100747_bb0160","doi-asserted-by":"crossref","first-page":"14633","DOI":"10.1021\/acs.jmedchem.4c01497","article-title":"Design, synthesis, and evaluation of p53Y220C acetylation targeting chimeras (AceTACs)","volume":"67","author":"Hu","year":"2024","journal-title":"J Med Chem"},{"issue":"2","key":"10.1016\/j.jgeb.2026.100747_bb0165","doi-asserted-by":"crossref","first-page":"199","DOI":"10.1038\/s41418-018-0246-9","article-title":"Mutant p53 as a guardian of the cancer cell","volume":"26","author":"Mantovani","year":"2019","journal-title":"Cell Death Differ"},{"issue":"2","key":"10.1016\/j.jgeb.2026.100747_bb0170","doi-asserted-by":"crossref","first-page":"248","DOI":"10.1111\/joim.12336","article-title":"Pharmacological reactivation of p53 as a strategy to treat cancer","volume":"277","author":"Zawacka-Pankau","year":"2015","journal-title":"J Intern Med"},{"key":"10.1016\/j.jgeb.2026.100747_bb0175","doi-asserted-by":"crossref","first-page":"375","DOI":"10.1146\/annurev-biochem-060815-014710","article-title":"The p53 pathway: origins, inactivation in Cancer, and emerging therapeutic approaches","volume":"85","author":"Joerger","year":"2016","journal-title":"Annu Rev Biochem"},{"issue":"30","key":"10.1016\/j.jgeb.2026.100747_bb0180","doi-asserted-by":"crossref","first-page":"10360","DOI":"10.1073\/pnas.0805326105","article-title":"Targeted rescue of a destabilized mutant of p53 by an in silico screened drug","volume":"105","author":"Boeckler","year":"2008","journal-title":"Proc Natl Acad Sci"},{"issue":"7","key":"10.1016\/j.jgeb.2026.100747_bb0185","first-page":"503","article-title":"ADMET Profiling in Drug Discovery and Development: Perspectives of In Silico, In Vitro and Integrated Approaches","volume":"22","author":"NEH","year":"2026","journal-title":"Curr Drug Metab"},{"issue":"12","key":"10.1016\/j.jgeb.2026.100747_bb0190","doi-asserted-by":"crossref","first-page":"3984","DOI":"10.1021\/acsptsci.4c00414","article-title":"Covalent fragments acting as tyrosine mimics for mutant p53-Y220C rescue by nucleophilic aromatic substitution","volume":"7","author":"Klett","year":"2024","journal-title":"ACS Pharmacol Transl Sci"},{"issue":"1","key":"10.1016\/j.jgeb.2026.100747_bb0195","doi-asserted-by":"crossref","first-page":"46","DOI":"10.1016\/j.chembiol.2009.12.011","article-title":"Toward the rational design of p53-stabilizing drugs: probing the surface of the oncogenic Y220C mutant","volume":"17","author":"Basse","year":"2010","journal-title":"Chem Biol"},{"issue":"4","key":"10.1016\/j.jgeb.2026.100747_bb0200","doi-asserted-by":"crossref","first-page":"1691","DOI":"10.1021\/acs.chemrev.7b00305","article-title":"Electrostatic interactions in protein structure, folding, binding, and condensation","volume":"118","author":"Zhou","year":"2018","journal-title":"Chem Rev"},{"issue":"12","key":"10.1016\/j.jgeb.2026.100747_bb0205","doi-asserted-by":"crossref","DOI":"10.3390\/curroncol32120684","article-title":"Breast Cancer therapy by small-molecule reactivation of mutant p53","volume":"32","author":"Slight","year":"2025","journal-title":"Curr Oncol"},{"key":"10.1016\/j.jgeb.2026.100747_bb0210","doi-asserted-by":"crossref","DOI":"10.1002\/ffj.70088","article-title":"Green Nanoemulsion Formulation of Citrus hystrix Essential Oil: Characterisation, Biological Potentials, and Eco\u2013Biocompatibility Profiling","author":"Raj","year":"2026","journal-title":"Flavour Fragr J"},{"key":"10.1016\/j.jgeb.2026.100747_bb0215","doi-asserted-by":"crossref","DOI":"10.1007\/s40009-026-02167-x","article-title":"Ecotoxicological and biosafety assessment of a ZnO-doped starch\u2013chitosan\u2013Taro mucilage nanocomposite film for food packaging applications","author":"Priyanka","year":"2026","journal-title":"Natl Acad Sci Lett"},{"issue":"4","key":"10.1016\/j.jgeb.2026.100747_bb0220","doi-asserted-by":"crossref","first-page":"886","DOI":"10.1002\/jctb.70146","article-title":"Nanoscale zinc oxide (ZnO NPs)\u2013alginate\u2013PEG\u2013activated carbon nanocomposite for efficient Cr(VI) removal from electroplating wastewater: adsorption isotherms and eco-toxicity evaluation","volume":"101","author":"Lavanya","year":"2026","journal-title":"J Chem Technol Biotechnol"},{"issue":"2","key":"10.1016\/j.jgeb.2026.100747_bb0225","doi-asserted-by":"crossref","DOI":"10.1007\/s12668-025-02395-3","article-title":"Fungal-derived chitosan nanoparticles as sustainable soil amendments, improve soil quality, enzymatic activity, and crop productivity","volume":"16","author":"Varshan","year":"2026","journal-title":"BioNanoSci"}],"container-title":["Journal of Genetic Engineering and Biotechnology"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1687157X26000910?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1687157X26000910?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,9,16]],"date-time":"2026-09-16T11:49:42Z","timestamp":1789559382000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1687157X26000910"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,9]]},"references-count":45,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2026,9]]}},"alternative-id":["S1687157X26000910"],"URL":"https:\/\/doi.org\/10.1016\/j.jgeb.2026.100747","relation":{},"ISSN":["1687-157X"],"issn-type":[{"value":"1687-157X","type":"print"}],"subject":[],"published":{"date-parts":[[2026,9]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Structure-based identification of small-molecule stabilizers targeting mutant TP53 (Y220C) in breast cancer: a pharmacophore modeling, molecular docking and dynamics study","name":"articletitle","label":"Article Title"},{"value":"Journal of Genetic Engineering and Biotechnology","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.jgeb.2026.100747","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2026 The Authors. Published by Elsevier Inc. on behalf of Academy of Scientific Research and Technology.","name":"copyright","label":"Copyright"}],"article-number":"100747"}}