{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,10]],"date-time":"2026-10-10T02:46:55Z","timestamp":1791600415872,"version":"4.3.4"},"reference-count":64,"publisher":"Frontiers Media SA","license":[{"start":{"date-parts":[[2024,7,17]],"date-time":"2024-07-17T00:00:00Z","timestamp":1721174400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100002383","name":"King Saud University","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100002383","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["frontiersin.org"],"crossmark-restriction":true},"short-container-title":["Front. Chem."],"abstract":"<jats:sec><jats:title>Background<\/jats:title><jats:p>Rearranged during transfection (RET), an oncogenic protein, is associated with various cancers, including non-small-cell lung cancer (NSCLC), papillary thyroid cancer (PTC), pancreatic cancer, medullary thyroid cancer (MTC), breast cancer, and colorectal cancer. Dysregulation of RET contributes to cancer development, highlighting the importance of identifying lead compounds targeting this protein due to its pivotal role in cancer progression. Therefore, this study aims to discover effective lead compounds targeting RET across different cancer types and evaluate their potential to inhibit cancer progression.<\/jats:p><\/jats:sec><jats:sec><jats:title>Methods<\/jats:title><jats:p>This study used a range of computational techniques, including Phase database creation, high-throughput virtual screening (HTVS), molecular docking, molecular mechanics with generalized Born surface area (MM-GBSA) solvation, assessment of pharmacokinetic (PK) properties, and molecular dynamics (MD) simulations, to identify potential lead compounds targeting RET.<\/jats:p><\/jats:sec><jats:sec><jats:title>Results<\/jats:title><jats:p>Initially, a high-throughput virtual screening of the ZINC database identified 2,550 compounds from a pool of 170,269. Subsequent molecular docking studies revealed 10 compounds with promising negative binding scores ranging from \u22128.458 to \u22127.791\u00a0kcal\/mol. MM-GBSA analysis further confirmed the potential of four compounds to exhibit negative binding scores. MD simulations demonstrated the stability of CID 95842900, CID 137030374, CID 124958150, and CID 110126793 with the target receptors.<\/jats:p><\/jats:sec><jats:sec><jats:title>Conclusion<\/jats:title><jats:p>These findings suggest that these selected four compounds have the potential to inhibit phosphorylated RET (pRET) tyrosine kinase activity and may represent promising candidates for the treatment of various cancers.<\/jats:p><\/jats:sec>","DOI":"10.3389\/fchem.2024.1407331","type":"journal-article","created":{"date-parts":[[2024,7,17]],"date-time":"2024-07-17T10:33:50Z","timestamp":1721212430000},"update-policy":"https:\/\/doi.org\/10.3389\/crossmark-policy","source":"Crossref","is-referenced-by-count":28,"title":["Cheminformatics-based identification of phosphorylated RET tyrosine kinase inhibitors for human cancer"],"prefix":"10.3389","volume":"12","author":[{"given":"Md. Enamul Kabir","family":"Talukder","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Md.","family":"Aktaruzzaman","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Noimul Hasan","family":"Siddiquee","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sabrina","family":"Islam","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Tanveer A.","family":"Wani","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hamad M.","family":"Alkahtani","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Seema","family":"Zargar","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Md. Obayed","family":"Raihan","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Md. Mashiar","family":"Rahman","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Sushil","family":"Pokhrel","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Foysal","family":"Ahammad","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1965","published-online":{"date-parts":[[2024,7,17]]},"reference":[{"key":"B1","doi-asserted-by":"publisher","first-page":"bbab098","DOI":"10.1093\/bib\/bbab098","article-title":"Pharmacoinformatics and molecular dynamics simulation-based phytochemical screening of neem plant (Azadiractha indica) against human cancer by targeting MCM7 protein","volume":"22","author":"Ahammad","year":"2021","journal-title":"Brief. Bioinform."},{"key":"B2","doi-asserted-by":"publisher","first-page":"40120","DOI":"10.1039\/d1ra06842c","article-title":"GC-MS analysis of phytoconstituents fromRuellia prostrataandSenna toraand identification of potential anti-viral activity against SARS-CoV-2","volume":"11","author":"Alam","year":"2021","journal-title":"RSC Adv."},{"key":"B3","doi-asserted-by":"publisher","first-page":"271","DOI":"10.3892\/ijmm.2017.3036","article-title":"The crucial role of protein phosphorylation in cell signaling and its use as targeted therapy (Review)","volume":"40","author":"Ardito","year":"2017","journal-title":"Int. J. Mol. Med."},{"key":"B4","doi-asserted-by":"publisher","first-page":"251","DOI":"10.14744\/ejmo.2022.39682","article-title":"The molecular dynamics effects of rutin on CDKS 2, 4 and 6: in silico modelling and molecular dynamics","volume":"6","author":"Asadi-Samani","year":"2022","journal-title":"Eurasian J. Med. Oncol."},{"key":"B5","volume-title":"Asinex.com - screening Libraries (all Libraries) - product types - screening Libraries","year":"2022"},{"key":"B6","doi-asserted-by":"publisher","first-page":"W257","DOI":"10.1093\/nar\/gky318","article-title":"ProTox-II: a webserver for the prediction of toxicity of chemicals","volume":"46","author":"Banerjee","year":"2018","journal-title":"Nucleic Acids Res."},{"key":"B7","doi-asserted-by":"publisher","first-page":"2038","DOI":"10.1110\/ps.037473.108","article-title":"Dynameomics: large\u2010scale assessment of native protein flexibility","volume":"17","author":"Benson","year":"2008","journal-title":"Protein Sci."},{"key":"B8","doi-asserted-by":"publisher","first-page":"1361","DOI":"10.1093\/BIB\/BBAA382","article-title":"Exploration of natural compounds with anti-SARS-CoV-2 activity via inhibition of SARS-CoV-2 Mpro","volume":"22","author":"Bharadwaj","year":"2021","journal-title":"Brief. Bioinform."},{"key":"B9","doi-asserted-by":"publisher","first-page":"691","DOI":"10.3390\/molecules26030691","article-title":"Molecular modelling studies on pyrazole derivatives for the design of potent rearranged during transfection kinase inhibitors","volume":"26","author":"Bhujbal","year":"2021","journal-title":"Molecules"},{"key":"B10","doi-asserted-by":"publisher","first-page":"4111","DOI":"10.1080\/07391102.2020.1774419","article-title":"A computational prediction of SARS-CoV-2 structural protein inhibitors from Azadirachta indica (Neem)","volume":"39","author":"Borkotoky","year":"2020","journal-title":"J. Biomol. Struct. Dyn."},{"key":"B11","doi-asserted-by":"publisher","first-page":"BBI.S40427","DOI":"10.4137\/BBI.S40427","article-title":"Interaction analysis of T7 RNA polymerase with heparin and its low molecular weight derivatives - an in silico approach","volume":"10","author":"Borkotoky","year":"2016","journal-title":"Bioinform. Biol. Insights"},{"key":"B12","doi-asserted-by":"publisher","DOI":"10.1145\/1188455.1188544","article-title":"Scalable algorithms for molecular dynamics simulations on commodity clusters","author":"Bowers","year":"2006","journal-title":"Proc. 2006 ACM\/IEEE Conf. Supercomput. SC\u201906"},{"key":"B13","doi-asserted-by":"crossref","DOI":"10.1021\/jm301008n","volume-title":"Rules for identifying potentially reactive or promiscuous compounds","author":"Bruns","year":"2012"},{"key":"B14","doi-asserted-by":"publisher","first-page":"102226","DOI":"10.1016\/j.jksus.2022.102226","article-title":"Unsymmetrical aromatic disulfides as SARS-CoV-2 Mpro inhibitors: molecular docking, molecular dynamics, and ADME scoring investigations","volume":"34","author":"Chtita","year":"2022","journal-title":"J. King Saud. Univ."},{"key":"B15","doi-asserted-by":"publisher","first-page":"1849","DOI":"10.1002\/JCC.20110","article-title":"Using quaternions to calculate RMSD","volume":"25","author":"Coutsias","year":"2004","journal-title":"J. Comput. Chem."},{"key":"B16","doi-asserted-by":"publisher","first-page":"42717","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."},{"key":"B17","doi-asserted-by":"publisher","first-page":"133964","DOI":"10.1016\/j.molstruc.2022.133964","article-title":"Rational design of novel pyridine-based drugs candidates for lymphoma therapy","volume":"1270","author":"Daoui","year":"2022","journal-title":"J. Mol. Struct."},{"key":"B18","doi-asserted-by":"publisher","first-page":"7768","DOI":"10.1080\/07391102.2022.2124456","article-title":"A computer-aided drug design approach to explore novel type II inhibitors of c-Met receptor tyrosine kinase for cancer therapy: QSAR, molecular docking, ADMET and molecular dynamics simulations","volume":"41","author":"Daoui","year":"2023","journal-title":"J. Biomol. Struct. Dyn."},{"key":"B19","doi-asserted-by":"publisher","first-page":"523","DOI":"10.1016\/B978-0-12-814619-4.00020-3","article-title":"High-throughput virtual screening (HTVS) of natural compounds and exploration of their biomolecular mechanisms: an in silico approach","author":"Dhasmana","year":"2019","journal-title":"New Look Phytomedicine Adv. Herb. Prod. as Nov. Drug Leads"},{"key":"B20","doi-asserted-by":"publisher","first-page":"370","DOI":"10.1111\/j.1747-0285.2006.00384.x","article-title":"PHASE: a novel approach to pharmacophore modeling and 3D database searching","volume":"67","author":"Dixon","year":"2006","journal-title":"Wiley Online Libr."},{"key":"B21","doi-asserted-by":"publisher","first-page":"1739","DOI":"10.1021\/JM0306430","article-title":"Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy","volume":"47","author":"Friesner","year":"2004","journal-title":"J. Med. Chem."},{"key":"B22","doi-asserted-by":"publisher","first-page":"6177","DOI":"10.1021\/jm051256o","article-title":"Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes","volume":"49","author":"Friesner","year":"2006","journal-title":"J. Med. Chem."},{"key":"B23","doi-asserted-by":"publisher","first-page":"591","DOI":"10.1007\/s10822-010-9349-1","article-title":"Towards the comprehensive, rapid, and accurate prediction of the favorable tautomeric states of drug-like molecules in aqueous solution","volume":"24","author":"Greenwood","year":"2010","journal-title":"J. Comput. Aided. Mol. Des."},{"key":"B24","doi-asserted-by":"publisher","first-page":"02540355","DOI":"10.1371\/journal.pone.0254035","article-title":"Molecular docking and dynamics simulation study of bioactive compounds from Ficus carica L. With important anticancer drug targets","volume":"16","author":"Gurung","year":"2021","journal-title":"PLoS One"},{"key":"B25","doi-asserted-by":"publisher","first-page":"1750","DOI":"10.1021\/JM030644S","article-title":"Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening","volume":"47","author":"Halgren","year":"2004","journal-title":"J. Med. Chem."},{"key":"B26","doi-asserted-by":"publisher","first-page":"281","DOI":"10.1021\/acs.jctc.5b00864","article-title":"OPLS3: a force field providing broad coverage of drug-like small molecules and proteins","volume":"12","author":"Harder","year":"2016","journal-title":"J. Chem. Theory Comput."},{"key":"B27","doi-asserted-by":"publisher","first-page":"13768","DOI":"10.3390\/ijms150813768","article-title":"Small-molecule inhibitors of the receptor tyrosine kinases: promising tools for targeted cancer therapies","volume":"15","author":"Hojjat-Farsangi","year":"2014","journal-title":"Int. J. Mol. Sci."},{"key":"B28","first-page":"1","volume-title":"Cancer stem cell for tumor therapy","author":"Huang","year":"2021"},{"key":"B29","doi-asserted-by":"publisher","first-page":"28773","DOI":"10.1039\/d3ra03923d","article-title":"Natural defense against multi-drug resistant Pseudomonas aeruginosa: Cassia occidentalis L. in vitro and in silico antibacterial activity","volume":"13","author":"Imon","year":"2023","journal-title":"RSC Adv."},{"key":"B30","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1155\/2014\/812148","article-title":"Ligand based pharmacophore modeling and virtual screening studies to design novel HDAC2 inhibitors","volume":"2014","author":"Kandakatla","year":"2014","journal-title":"Adv. Bioinforma."},{"key":"B31","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1007\/978-81-322-1780-0","article-title":"Practical chemoinformatics","author":"Karthikeyan","year":"2014","journal-title":"Pract. Chemoinformatics"},{"key":"B32","doi-asserted-by":"publisher","first-page":"1285","DOI":"10.1080\/07391102.2020.1824815","article-title":"Multi-combined 3D-QSAR, docking molecular and ADMET prediction of 5-azaindazole derivatives as LRRK2 tyrosine kinase inhibitors","volume":"40","author":"Khamouli","year":"2022","journal-title":"J. Biomol. Struct. Dyn."},{"key":"B33","doi-asserted-by":"publisher","first-page":"33577","DOI":"10.1074\/jbc.M605604200","article-title":"Structure and chemical inhibition of the RET tyrosine kinase domain","volume":"281","author":"Knowles","year":"2006","journal-title":"J. Biol. Chem."},{"key":"B34","doi-asserted-by":"publisher","first-page":"i258","DOI":"10.1093\/BIOINFORMATICS\/BTI1039","article-title":"Prediction of active sites for protein structures from computed chemical properties","volume":"21","author":"Ko","year":"2005","journal-title":"Bioinformatics"},{"key":"B35","doi-asserted-by":"publisher","first-page":"1117","DOI":"10.1016\/j.cell.2010.06.011","article-title":"Cell signaling by receptor tyrosine kinases","volume":"141","author":"Lemmon","year":"2010","journal-title":"Cell."},{"key":"B36","doi-asserted-by":"publisher","first-page":"16307","DOI":"10.1021\/acsomega.0c02183","article-title":"Molecular dynamics analysis of binding sites of epidermal growth factor receptor kinase inhibitors","volume":"5","author":"Li","year":"2020","journal-title":"ACS Omega"},{"key":"B37","doi-asserted-by":"publisher","first-page":"3","DOI":"10.1016\/S0169-409X(00)00129-0","article-title":"Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3\u201325. 1","volume":"46","author":"Lipinski","year":"2001","journal-title":"Adv. Drug Deliv. Rev."},{"key":"B38","doi-asserted-by":"publisher","first-page":"4","DOI":"10.1016\/J.ADDR.2012.09.019","article-title":"Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings","volume":"64","author":"Lipinski","year":"2012","journal-title":"Adv. Drug Deliv. Rev."},{"key":"B39","doi-asserted-by":"publisher","first-page":"472","DOI":"10.20517\/cdr.2020.15","article-title":"RET kinase alterations in targeted cancer therapy","volume":"3","author":"Liu","year":"2020","journal-title":"Cancer Drug Resist"},{"key":"B40","doi-asserted-by":"publisher","first-page":"7108","DOI":"10.3390\/ijms21197108","article-title":"Ret receptor tyrosine kinase: role in neurodegeneration, obesity, and cancer","volume":"21","author":"Mahato","year":"2020","journal-title":"Int. J. Mol. Sci."},{"key":"B41","doi-asserted-by":"publisher","first-page":"144","DOI":"10.6026\/97320630010144","article-title":"In-Vitro and In-Silico characterization of Sophora interrupta plant extract as an anticancer activity","volume":"10","author":"Mathi","year":"2014","journal-title":"Bioinformation"},{"key":"B42","doi-asserted-by":"publisher","first-page":"120","DOI":"10.3390\/ph16010120","article-title":"Integrative ligand-based pharmacophore modeling, virtual screening, and molecular docking simulation approaches identified potential lead compounds against pancreatic cancer by targeting FAK1","volume":"16","author":"Molla","year":"2023","journal-title":"Pharmaceuticals"},{"key":"B43","doi-asserted-by":"publisher","first-page":"4363","DOI":"10.3390\/cancers13174363","article-title":"Apoptosis deregulation and the development of cancer multi-drug resistance","volume":"13","author":"Neophytou","year":"2021","journal-title":"Cancers (Basel)"},{"key":"B44","doi-asserted-by":"publisher","first-page":"620","DOI":"10.3390\/cancers11050620","article-title":"Rearranged during transfection fusions in non-small cell lung cancer","volume":"11","author":"O\u2019Leary","year":"2019","journal-title":"Cancers (Basel)"},{"key":"B45","doi-asserted-by":"publisher","first-page":"4049","DOI":"10.1038\/S41598-021-83626-X","article-title":"Structure based pharmacophore modeling, virtual screening, molecular docking and ADMET approaches for identification of natural anti-cancer agents targeting XIAP protein","volume":"11","author":"Opo","year":"2021","journal-title":"Sci. Rep."},{"key":"B46","doi-asserted-by":"publisher","first-page":"1194","DOI":"10.1039\/d1ra07328a","article-title":"Investigating natural compounds against oncogenic RET tyrosine kinase using pharmacoinformatic approaches for cancer therapeutics","volume":"12","author":"Parate","year":"","journal-title":"RSC Adv."},{"key":"B47","doi-asserted-by":"publisher","first-page":"118562","DOI":"10.1016\/j.molliq.2022.118562","article-title":"Putative dual inhibitors of mTOR and RET kinase from natural products: pharmacophore-based hierarchical virtual screening","volume":"350","author":"Parate","year":"","journal-title":"J. Mol. Liq."},{"key":"B48","doi-asserted-by":"publisher","first-page":"5715","DOI":"10.1021\/acs.jcim.2c00995","article-title":"Qualitative estimation of protein \u2212 ligand complex stability through thermal titration molecular dynamics simulations","volume":"62","author":"Pavan","year":"2022","journal-title":"J. Chem. Inf. Model."},{"key":"B49","doi-asserted-by":"publisher","first-page":"1114","DOI":"10.1016\/j.ijbiomac.2021.09.146","article-title":"Spike protein recognizer receptor ACE2 targeted identification of potential natural antiviral drug candidates against SARS-CoV-2","volume":"191","author":"Pokhrel","year":"2021","journal-title":"Int. J. Biol. Macromol."},{"key":"B50","article-title":"Silico study of natural pyridoacridine against CDK- 2 and CDK-6 cancer","volume":"27","author":"Puji","year":"2021"},{"key":"B51","first-page":"1208","article-title":"In-silico studies on selected phytoconstituents of neolamarckia cadamba (roxb.) stem bark for anticancer activity","volume":"12","author":"Ravi Kumar","year":"2020","journal-title":"J. Pharm. Sci. Res."},{"key":"B52","doi-asserted-by":"publisher","first-page":"113705","DOI":"10.1016\/j.ejmech.2021.113705","article-title":"Current trends in computer aided drug design and a highlight of drugs discovered via computational techniques: a review","volume":"224","author":"Sabe","year":"2021","journal-title":"Eur. J. Med. Chem."},{"key":"B53","doi-asserted-by":"publisher","first-page":"6849","DOI":"10.1038\/s41598-021-86211-4","article-title":"In silico studies reveal structural deviations of mutant profilin-1 and interaction with riluzole and edaravone in amyotrophic lateral sclerosis","volume":"11","author":"Sadr","year":"2021","journal-title":"Sci. Rep."},{"key":"B54","doi-asserted-by":"publisher","first-page":"1539","DOI":"10.1038\/s41598-022-05621-0","article-title":"Bioinformatics approaches identified dasatinib and bortezomib inhibit the activity of MCM7 protein as a potential treatment against human cancer","volume":"12","author":"Samad","year":"2022","journal-title":"Sci. Rep."},{"key":"B55","doi-asserted-by":"publisher","first-page":"4079","DOI":"10.1038\/s41388-021-01841-2","article-title":"Receptor tyrosine kinases and cancer: oncogenic mechanisms and therapeutic approaches","volume":"40","author":"Saraon","year":"2021","journal-title":"Oncogene"},{"key":"B56","doi-asserted-by":"publisher","first-page":"1813","DOI":"10.1038\/S41598-017-01535-4","article-title":"Genotyping-by-sequencing of three mapping populations for identification of candidate genomic regions for resistance to sterility mosaic disease in pigeonpea","volume":"7","author":"Saxena","year":"2017","journal-title":"Sci. Rep."},{"key":"B57","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1155\/2016\/5409387","article-title":"In silico molecular docking analysis of natural pyridoacridines as anticancer agents","volume":"2016","author":"Sharma","year":"2016","journal-title":"Adv. Chem."},{"key":"B58","doi-asserted-by":"publisher","first-page":"1307","DOI":"10.1016\/S0022-2836(03)00045-7","article-title":"A model for statistical significance of local similarities in structure","volume":"326","author":"Stark","year":"2003","journal-title":"J. Mol. Biol."},{"key":"B59","doi-asserted-by":"publisher","first-page":"14","DOI":"10.6026\/97320630003014","article-title":"Virtual high throughput screening (vHTS)--a perspective","volume":"3","author":"Subramaniam","year":"2008","journal-title":"Bioinformation"},{"key":"B60","doi-asserted-by":"publisher","first-page":"100","DOI":"10.1093\/carcin\/bgp263","article-title":"The global burden of cancer: priorities for prevention","volume":"31","author":"Thun","year":"2010"},{"key":"B61","doi-asserted-by":"publisher","first-page":"114766","DOI":"10.1016\/J.EJMECH.2022.114766","article-title":"High throughput virtual screening (HTVS) of peptide library: technological advancement in ligand discovery","volume":"243","author":"Tripathi","year":"2022","journal-title":"Eur. J. Med. Chem."},{"key":"B62","doi-asserted-by":"publisher","first-page":"S639","DOI":"10.4103\/0973-1296.139809","article-title":"Identification of natural inhibitors against angiotensin I converting enzyme for cardiac safety using induced fit docking and MM-GBSA studies","volume":"10","author":"Vijayakumar","year":"2014","journal-title":"Pharmacogn. Mag."},{"key":"B63","doi-asserted-by":"publisher","first-page":"e446","DOI":"10.1002\/mco2.446","article-title":"Receptor tyrosine kinases: biological functions and anticancer targeted therapy","volume":"4","author":"Zhang","year":"2023","journal-title":"MedComm"},{"key":"B64","doi-asserted-by":"publisher","first-page":"1631","DOI":"10.2174\/1568026616666161117112604","article-title":"A comprehensive docking and MM\/GBSA rescoring study of ligand recognition upon binding antithrombin","volume":"17","author":"Zhang","year":"2017","journal-title":"Curr. Top. Med. Chem."}],"container-title":["Frontiers in Chemistry"],"original-title":[],"link":[{"URL":"https:\/\/www.frontiersin.org\/articles\/10.3389\/fchem.2024.1407331\/full","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,7,17]],"date-time":"2024-07-17T10:33:56Z","timestamp":1721212436000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.frontiersin.org\/articles\/10.3389\/fchem.2024.1407331\/full"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,7,17]]},"references-count":64,"alternative-id":["10.3389\/fchem.2024.1407331"],"URL":"https:\/\/doi.org\/10.3389\/fchem.2024.1407331","relation":{},"ISSN":["2296-2646"],"issn-type":[{"value":"2296-2646","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,7,17]]},"article-number":"1407331"}}