{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,28]],"date-time":"2026-10-28T01:33:12Z","timestamp":1793151192552,"version":"4.5.0"},"reference-count":93,"publisher":"Elsevier BV","license":[{"start":{"date-parts":[[2026,12,1]],"date-time":"2026-12-01T00:00:00Z","timestamp":1796083200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2026,12,1]],"date-time":"2026-12-01T00:00:00Z","timestamp":1796083200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2026,12,1]],"date-time":"2026-12-01T00:00:00Z","timestamp":1796083200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-017"},{"start":{"date-parts":[[2026,12,1]],"date-time":"2026-12-01T00:00:00Z","timestamp":1796083200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,12,1]],"date-time":"2026-12-01T00:00:00Z","timestamp":1796083200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-012"},{"start":{"date-parts":[[2026,12,1]],"date-time":"2026-12-01T00:00:00Z","timestamp":1796083200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,12,1]],"date-time":"2026-12-01T00:00:00Z","timestamp":1796083200000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-004"}],"funder":[{"DOI":"10.13039\/501100004410","name":"Scientific and Technological Research Council of Turkey","doi-asserted-by":"publisher","award":["113Z694"],"award-info":[{"award-number":["113Z694"]}],"id":[{"id":"10.13039\/501100004410","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Computational Biology and Chemistry"],"published-print":{"date-parts":[[2026,12]]},"DOI":"10.1016\/j.compbiolchem.2026.109333","type":"journal-article","created":{"date-parts":[[2026,8,18]],"date-time":"2026-08-18T15:21:06Z","timestamp":1787066466000},"page":"109333","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":0,"special_numbering":"C","title":["Short and efficient synthesis of the natural triterpenoids \u03b1- and \u03b2-amyrins with detailed in silico screening and in vitro anticancer evaluation against breast and prostate cancer cells"],"prefix":"10.1016","volume":"125","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-8333-035X","authenticated-orcid":false,"given":"Halil","family":"\u015eenol","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Salih","family":"Tuncay","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7540-1456","authenticated-orcid":false,"given":"\u015eeyma","family":"Ate\u015fo\u011flu","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Abdullah","family":"Menzek","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hasan","family":"Se\u00e7en","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"G\u00fcla\u00e7t\u0131","family":"Top\u00e7u","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.compbiolchem.2026.109333_bib1","doi-asserted-by":"crossref","DOI":"10.1007\/s11696-026-04903-5","article-title":"Multitarget anticancer potential of Terminalia bentzoe triterpenes: in vitro cytotoxicity and computational validation","author":"Abdelrheem","year":"2026","journal-title":"Chem. Pap."},{"issue":"6","key":"10.1016\/j.compbiolchem.2026.109333_bib2","first-page":"2071","article-title":"Tyrosinase inhibition, anti-acetylcholinesterase, and antimicrobial activities of the phytochemicals from Gynotroches axillaris Blume","volume":"29","author":"Abed","year":"2016","journal-title":"Pak. J. Pharm. Sci."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib3","doi-asserted-by":"crossref","DOI":"10.1016\/j.imu.2022.100880","article-title":"Molecular modeling in drug discovery","volume":"29","author":"Adelusi","year":"2022","journal-title":"Inform. Med. Unlocked"},{"issue":"20","key":"10.1016\/j.compbiolchem.2026.109333_bib4","doi-asserted-by":"crossref","first-page":"7069","DOI":"10.3390\/molecules28207069","article-title":"Antispasmodic Effect of Alstonia boonei De Wild. and Its Constituents: Ex Vivo and In Silico Approaches","volume":"28","author":"Akinmurele","year":"2023","journal-title":"MOLECULES"},{"key":"10.1016\/j.compbiolchem.2026.109333_bib5","doi-asserted-by":"crossref","DOI":"10.1155\/2015\/298463","article-title":"Cytotoxic Activity and Chemical Composition of the Root Extract from the Mexican Species Linum scabrellum: Mechanism of Action of the Active Compound 6-Methoxypodophyllotoxin","volume":"2015","author":"Alejandre-Garc\u00eda","year":"2015","journal-title":"Evid.-BASED COMPLEMENTARY ALTERNATIVE Med."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib6","doi-asserted-by":"crossref","first-page":"127","DOI":"10.1007\/978-1-0716-3441-7_7","article-title":"Applications of Molecular Dynamics Simulations in Drug Discovery","volume":"2714","author":"AlRawashdeh","year":"2024","journal-title":"Methods Mol. Biol."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib7","doi-asserted-by":"crossref","DOI":"10.1016\/j.jfca.2024.106682","article-title":"1-Benzhydryl-piperazine: Isolation, structure determination, and in silico studies for a novel potential narcotic agent detected in sports supplements","author":"Arslan","year":"2024","journal-title":"J. Food Compos. Anal."},{"issue":"7","key":"10.1016\/j.compbiolchem.2026.109333_bib8","doi-asserted-by":"crossref","first-page":"505","DOI":"10.1016\/S1875-5364(17)30076-6","article-title":"Mesua ferrea stem bark extract induces apoptosis and inhibits metastasis in human colorectal carcinoma HCT 116 cells, through modulation of multiple cell signalling pathways","volume":"15","author":"Asif","year":"2017","journal-title":"Chin. J. Nat. MEDICINES"},{"key":"10.1016\/j.compbiolchem.2026.109333_bib9","doi-asserted-by":"crossref","DOI":"10.1016\/j.bioorg.2025.109419","article-title":"Harnessing nature's building blocks: potent and safe urease inhibition by simple amino acids","volume":"169","author":"Ba\u011f","year":"2026","journal-title":"Bioorg. Chem."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib10","article-title":"Remarkable anti-breast cancer activity and molecular docking studies of ferrocene tethered pyrimidobenzothiazoles and pyrimidobenzimidazoles","volume":"5","author":"Bansode","year":"2023","journal-title":"Res. Chem."},{"issue":"40","key":"10.1016\/j.compbiolchem.2026.109333_bib11","doi-asserted-by":"crossref","first-page":"5839","DOI":"10.1016\/j.tet.2018.07.060","article-title":"Synthesis and rearrangement reactions of 1,4-dihydrospiro[1,4-methanonaphthalene-9,1 '-cyclopropane] derivatives","volume":"74","author":"Bayrak","year":"2018","journal-title":"Tetrahedron"},{"issue":"3","key":"10.1016\/j.compbiolchem.2026.109333_bib12","first-page":"229","article-title":"Global cancer statistics 2022: GLOBOCAN estimates of incidence and mortality worldwide for 36 cancers in 185 countries","volume":"74","author":"Bray","year":"2024","journal-title":"CA Cancer J. Clin."},{"issue":"2","key":"10.1016\/j.compbiolchem.2026.109333_bib13","first-page":"431","article-title":"\u03b2-Amyrin ameliorates pulmonary fibrosis by inhibiting inflammatory response and oxidative stress in mice","volume":"36","author":"Cai","year":"2023","journal-title":"Pak. J. Pharm. Sci."},{"issue":"5","key":"10.1016\/j.compbiolchem.2026.109333_bib14","doi-asserted-by":"crossref","first-page":"1228","DOI":"10.1080\/14786419.2024.2420334","article-title":"Exploring the anticancer potential of Lasia spinosa rhizomes: insights from molecular docking and DFT investigations on chlorogenic acid and beyond","volume":"40","author":"Chaitanya","year":"2026","journal-title":"Nat. Prod. Res."},{"issue":"10","key":"10.1016\/j.compbiolchem.2026.109333_bib15","doi-asserted-by":"crossref","first-page":"1426","DOI":"10.3390\/plants14101426","article-title":"Inhibition of RPA32 and Cytotoxic Effects of the Carnivorous Plant Sarracenia purpurea Root Extract in Non-Small-Cell Lung Cancer Cells","volume":"14","author":"Chang","year":"2025","journal-title":"PLANTS-BASEL"},{"issue":"12","key":"10.1016\/j.compbiolchem.2026.109333_bib16","doi-asserted-by":"crossref","DOI":"10.1002\/ardp.201700178","article-title":"Practical Synthesis of alpha-Amyrin, beta-Amyrin, and Lupeol: The Potential Natural Inhibitors of Human Oxidosqualene Cyclase","volume":"350","author":"Chen","year":"2017","journal-title":"Arch. Pharm. (Weinh."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib17","doi-asserted-by":"crossref","DOI":"10.1016\/j.jep.2025.119995","article-title":"Taraxacum mongolicum total triterpenoids and taraxasterol ameliorate benign prostatic hyperplasia by inhibiting androgen levels, inflammatory responses, and epithelial-mesenchymal transition via the TGF(31\/Smad signalling pathway","volume":"349","author":"Chen","year":"2025","journal-title":"J. Ethnopharmacol."},{"issue":"19","key":"10.1016\/j.compbiolchem.2026.109333_bib18","doi-asserted-by":"crossref","first-page":"8873","DOI":"10.1021\/ja00072a064","article-title":"Enantioselective total synthesis of oleanolic acid, erythrodiol, beta-amyrin, and other pentacyclic triterpenes from a common intermediate","volume":"115","author":"Corey","year":"1993","journal-title":"J. Am. Chem. Soc."},{"issue":"11","key":"10.1016\/j.compbiolchem.2026.109333_bib19","doi-asserted-by":"crossref","first-page":"3831","DOI":"10.1007\/s00044-015-1424-7","article-title":"Antioxidant and anticholinesterase activities of lupane triterpenoids and other constituents of Salvia trichoclada","volume":"24","author":"Culhaoglu","year":"2015","journal-title":"Med. Chem. Res."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib20","first-page":"37","article-title":"Cytotoxic effects of ursolic acid and its derivative on breast cancer cell lines","volume":"218","author":"\u00c7ulhaoglu","year":"2016","journal-title":"Acta Physiol."},{"issue":"12","key":"10.1016\/j.compbiolchem.2026.109333_bib21","doi-asserted-by":"crossref","first-page":"1442","DOI":"10.1055\/s-0031-1282930","article-title":"Biologically active lupane triterpenoids from Anatolian Salvia species","volume":"77","author":"Culhaoglu","year":"2011","journal-title":"Planta Med."},{"issue":"4-5","key":"10.1016\/j.compbiolchem.2026.109333_bib22","doi-asserted-by":"crossref","first-page":"438","DOI":"10.1080\/14786419.2012.734820","article-title":"Bioactive constituents of Salvia chrysophylla Stapf","volume":"27","author":"Culhaoglu","year":"2013","journal-title":"Nat. Prod. Res."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib23","doi-asserted-by":"crossref","DOI":"10.1016\/j.compbiolchem.2025.108683","article-title":"Morpholine-modified thiosemicarbazones and thiazolidin-4-ones against Alzheimer\u2019s key enzymes: From synthesis to inhibition","volume":"120","author":"Demir","year":"2026","journal-title":"Comput. Biol. Chem."},{"issue":"7","key":"10.1016\/j.compbiolchem.2026.109333_bib24","doi-asserted-by":"crossref","first-page":"1484","DOI":"10.3390\/biomedicines12071484","article-title":"Anti-Inflammatory and Cancer-Preventive Potential of Chamomile (Matricaria chamomilla L.): A Comprehensive In Silico and In Vitro Study","volume":"12","author":"Drif","year":"2024","journal-title":"BIOMEDICINES"},{"issue":"3","key":"10.1016\/j.compbiolchem.2026.109333_bib25","doi-asserted-by":"crossref","first-page":"394","DOI":"10.1039\/b515312n","article-title":"Pharmacological activities of natural triterpenoids and their therapeutic implications","volume":"23","author":"Dzubak","year":"2006","journal-title":"Nat. Product. Rep."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib26","author":"Erman","year":"2012","journal-title":"Inhib. NF-\u03baB Act. Trite Compd."},{"issue":"3","key":"10.1016\/j.compbiolchem.2026.109333_bib27","doi-asserted-by":"crossref","first-page":"500","DOI":"10.1021\/np800671p","article-title":"Antioxidant and Anticholinesterase Activity Evaluation of ent-Kaurane Diterpenoids from Sideritis arguta","volume":"72","author":"Ertas","year":"2009","journal-title":"J. Nat. Prod."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib28","doi-asserted-by":"crossref","DOI":"10.1016\/j.compbiomed.2021.104538","article-title":"Interaction of selected terpenoids with two SARS-CoV-2 key therapeutic targets: An in silico study through molecular docking and dynamics simulations","volume":"134","author":"Giofre","year":"2021","journal-title":"Comput. Biol. Med."},{"issue":"4","key":"10.1016\/j.compbiolchem.2026.109333_bib29","doi-asserted-by":"crossref","first-page":"799","DOI":"10.1016\/S0031-9422(97)00312-9","article-title":"Terpenoids and flavonoids from Salvia cyanescens","volume":"46","author":"Gokdil","year":"1997","journal-title":"Phytochemistry"},{"issue":"5","key":"10.1016\/j.compbiolchem.2026.109333_bib30","doi-asserted-by":"crossref","first-page":"457","DOI":"10.1080\/14786410412331272095","article-title":"DNA damaging activities of methanol extract of Ajuga postii and iridoid glucoside reptoside","volume":"19","author":"Goren","year":"2005","journal-title":"Nat. Prod. Res."},{"issue":"3","key":"10.1016\/j.compbiolchem.2026.109333_bib31","doi-asserted-by":"crossref","first-page":"1305","DOI":"10.1007\/s11030-023-10658-y","article-title":"Identification of potential inhibitors of cholinergic and \u03b2-secretase enzymes from phytochemicals derived from Gongronema latifolium Benth leaf: an integrated computational analysis","volume":"28","author":"Gyebi","year":"2024","journal-title":"Mol. Divers."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib32","article-title":"Preparation of triterpenoid compositions for treating optic neuropathy","author":"Hazan","year":"2018","journal-title":"WO"},{"issue":"3","key":"10.1016\/j.compbiolchem.2026.109333_bib33","doi-asserted-by":"crossref","first-page":"737","DOI":"10.1080\/14786419.2024.2425045","article-title":"\u03b2-amyrin heptadecanoate, a new oleanane triterpenoid with \u03b1-glucosidase inhibitory and cytotoxic activities from the leaves of Averrhoa bilimbi L","volume":"40","author":"Hoang","year":"2026","journal-title":"Nat. Prod. Res."},{"issue":"2","key":"10.1016\/j.compbiolchem.2026.109333_bib34","doi-asserted-by":"crossref","first-page":"219","DOI":"10.62940\/als.v9i2.1422","article-title":"Oleanolic acid (pentacyclic triterpenes) as a potential candidate for \u03b1-glycosidase inhibition activity","volume":"9","author":"Javed","year":"2022","journal-title":"ADVANCEMENTS LIFE Sci."},{"issue":"18","key":"10.1016\/j.compbiolchem.2026.109333_bib35","doi-asserted-by":"crossref","first-page":"5849","DOI":"10.3390\/molecules27185849","article-title":"Multifaced Assessment of Antioxidant Power, Phytochemical Metabolomics, In-Vitro Biological Potential and In-Silico Studies of Neurada procumbens L.: An Important Medicinal Plant","volume":"27","author":"Khurshid","year":"2022","journal-title":"MOLECULES"},{"issue":"6","key":"10.1016\/j.compbiolchem.2026.109333_bib36","doi-asserted-by":"crossref","first-page":"373","DOI":"10.1007\/s10787-014-0218-8","article-title":"Anti-inflammatory potential of \u03b2-amyrin, a triterpenoid isolated from Costus igneus","volume":"22","author":"Krishnan","year":"2014","journal-title":"INFLAMMOPHARMACOLOGY"},{"issue":"3","key":"10.1016\/j.compbiolchem.2026.109333_bib37","doi-asserted-by":"crossref","first-page":"402","DOI":"10.1016\/S0959-440X(96)80061-3","article-title":"Computational methods for biomolecular docking","volume":"6","author":"Lengauer","year":"1996","journal-title":"Curr. Opin. Struct. Biol."},{"issue":"5","key":"10.1016\/j.compbiolchem.2026.109333_bib38","doi-asserted-by":"crossref","first-page":"357","DOI":"10.1038\/nrc2129","article-title":"Triterpenoids and rexinoids as multifunctional agents for the prevention and treatment of cancer","volume":"7","author":"Liby","year":"2007","journal-title":"Nat. Rev. Cancer"},{"issue":"2-3","key":"10.1016\/j.compbiolchem.2026.109333_bib39","doi-asserted-by":"crossref","first-page":"227","DOI":"10.1016\/j.ejphar.2006.12.005","article-title":"Mechanisms underlying the inhibitory actions of the pentacyclic triterpene alpha-amyrin in the mouse skin inflammation induced by phorbol ester 12-O-tetradecanoylphorbol-13-acetate","volume":"559","author":"Medeiros","year":"2007","journal-title":"Eur. J. Pharmacol."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib40","article-title":"Triterpene oxidase derived from glychyrrhiza plant, gene encoding the oxidase, and method for utilizing the gene","author":"Muranaka","year":"2010","journal-title":"PCT Int. Appl."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib41","article-title":"Cloning of cDNA for triterpene oxidizing cytochrome p450 from plants belonging to genus Glycyrrhiza and use of recombinant enzyme in efficient glycyrrhizin production","author":"Muranaka","year":"2009","journal-title":"PCT Int. Appl."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib42","doi-asserted-by":"crossref","DOI":"10.1016\/j.molliq.2025.127313","article-title":"Ionic liquid [FcMeBIMIoct] [Br\u2212] catalyzed multicomponent synthesis, anticancer activity, in silico ADMET, DFT, QSAR and molecular docking studies of new dihydropyrimidine-thiones","volume":"426","author":"Naiknaware","year":"2025","journal-title":"J. Mol. Liq."},{"issue":"3","key":"10.1016\/j.compbiolchem.2026.109333_bib43","doi-asserted-by":"crossref","first-page":"1215","DOI":"10.1016\/j.ejmech.2008.09.011","article-title":"Synthesis of alpha-amyrin derivatives and their in vivo antihyperglycemic activity","volume":"44","author":"Narender","year":"2009","journal-title":"Eur. J. Med. Chem."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib44","doi-asserted-by":"crossref","first-page":"162","DOI":"10.1016\/j.ejmech.2013.01.053","article-title":"Synthesis of novel triterpene and N-allylated\/N-alkylated niacin hybrids as \u03b1-glucosidase inhibitors","volume":"63","author":"Narender","year":"2013","journal-title":"Eur. J. Med. Chem."},{"issue":"5","key":"10.1016\/j.compbiolchem.2026.109333_bib45","doi-asserted-by":"crossref","DOI":"10.1002\/cbdv.202502045","article-title":"Natural Products in Gambeya lacourtiana (Sapotaceae): Identification, In Vitro Cytoxicity, and Deep Learning-Based Pharmacokinetic Prediction","volume":"23","author":"Ngangoue","year":"2026","journal-title":"Chem. Biodivers."},{"issue":"11","key":"10.1016\/j.compbiolchem.2026.109333_bib46","doi-asserted-by":"crossref","first-page":"1478","DOI":"10.3109\/13880209.2014.898078","article-title":"beta-Amyrin and alpha-amyrin acetate isolated from the stem bark of Alstonia boonei display profound anti-inflammatory activity","volume":"52","author":"Okoye","year":"2014","journal-title":"Pharm. Biol."},{"issue":"5","key":"10.1016\/j.compbiolchem.2026.109333_bib47","doi-asserted-by":"crossref","first-page":"685","DOI":"10.1016\/j.jsps.2018.02.022","article-title":"Analysis of antioxidative and antiviral biomarkers beta-amyrin, beta-sitosterol, lupeol, ursolic acid in Guiera senegalensis leaves extract by validated HPTLC methods","volume":"26","author":"Parvez","year":"2018","journal-title":"Saudi Pharm. J."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib48","article-title":"Novel sulphonamide-azaheterocycle conjugates and their anti-cancer, anti-inflammatory, anti-diabetic, anti-angiogenesis activity and molecular docking studies","volume":"7","author":"Patil","year":"2024","journal-title":"Res. Chem."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib49","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2023.137202","article-title":"Benzylpyrazolyl naphthoquinones as potential VEGFR-2, GPCR and PPAR inhibitors: Synthesis, anti-cancer evaluation, molecular docking and DFT studies","volume":"1301","author":"Patil","year":"2024","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib50","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2025.144874","article-title":"Ferrocene tethered imidazoline NHC silver complex [FeMImiMeNHC-Ag] Catalyzed synthesis, anticancer activity, apoptosis, cell cycle arrest and in silico studies of new benzoxazoles","volume":"1354","author":"Pore","year":"2026","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib51","first-page":"1","article-title":"Nucleobase Ionic Liquids (NBILs) Induced Apoptosis via Caspase 3 Activation and in silico Regulation of the IRE1a Pathway in Pancreatic Cancer PANC-1 Cells, Anti-Cancer","volume":"26","author":"Pradnya","year":"2026","journal-title":"Agents Med. Chem."},{"issue":"5","key":"10.1016\/j.compbiolchem.2026.109333_bib52","doi-asserted-by":"crossref","first-page":"1180","DOI":"10.1080\/0972060X.2021.1978870","article-title":"Chemical Composition and Biological Activities of Essential Oil from Aerial Parts of Frankenia pulverulenta L. and Boerhavia elegans Choisy from Northern Oman","volume":"24","author":"Rehman","year":"2021","journal-title":"J. Essent. Oil Bear. Pl"},{"issue":"20","key":"10.1016\/j.compbiolchem.2026.109333_bib53","doi-asserted-by":"crossref","DOI":"10.1002\/slct.202300481","article-title":"Synthesis, Characterization, Molecular Docking and Biological Studies of Thiazolidin-4-one Derivatives as Anti-Breast-Cancer Agents","volume":"8","author":"\u015eenol","year":"2023","journal-title":"ChemistrySelect"},{"issue":"20","key":"10.1016\/j.compbiolchem.2026.109333_bib54","doi-asserted-by":"crossref","first-page":"2587","DOI":"10.1016\/j.tet.2016.03.094","article-title":"Cycloaddition reaction of spiro[2.4]hepta-4,6-dien-1-ylmethanol and PTAD: a new rearrangement","volume":"72","author":"\u015eenol","year":"2016","journal-title":"Tetrahedron"},{"issue":"4","key":"10.1016\/j.compbiolchem.2026.109333_bib55","doi-asserted-by":"crossref","first-page":"694","DOI":"10.1007\/s00044-023-03031-z","article-title":"Synthesis of nitrogen-containing oleanolic acid derivatives as carbonic anhydrase and acetylcholinesterase inhibitors","volume":"32","author":"\u015eenol","year":"2023","journal-title":"Med. Chem. Res."},{"issue":"3","key":"10.1016\/j.compbiolchem.2026.109333_bib56","doi-asserted-by":"crossref","first-page":"114","DOI":"10.25135\/acg.oc.22.17.07.034","article-title":"Synthesis of new fatty acid derivatives of oleanane and ursane triterpenoids and investigation of their in vitro cytotoxic effects on 3T3 fibroblast and PC3 prostate cancer cell lines","volume":"13","author":"\u015eenol","year":"2020","journal-title":"Org. Commun."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib57","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2023.136804","article-title":"Novel chalcone derivatives of ursolic acid as acetylcholinesterase inhibitors: Synthesis, characterization, biological activity, ADME prediction, molecular docking and molecular dynamics studies","volume":"1295","author":"\u015eenol","year":"2024","journal-title":"J. Mol. Struct."},{"issue":"9","key":"10.1016\/j.compbiolchem.2026.109333_bib58","doi-asserted-by":"crossref","DOI":"10.1002\/cbdv.202301089","article-title":"Synthesis and Anticancer Activity of Novel Derivatives of \u03b1,\u03b2-Unsaturated Ketones Based on Oleanolic Acid: in Vitro and in Silico Studies against Prostate Cancer Cells","volume":"20","author":"\u015eenol","year":"2023","journal-title":"Chem. Biodivers."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib59","article-title":"Synthesis of oleanolic acid hydrazide-hydrazone hybrid derivatives and investigation of their cytotoxic effects on A549 human lung cancer cells","volume":"4","author":"\u015eenol","year":"2022","journal-title":"Res. Chem."},{"issue":"1","key":"10.1016\/j.compbiolchem.2026.109333_bib60","doi-asserted-by":"crossref","first-page":"103","DOI":"10.1021\/acs.jnatprod.2c00798","article-title":"Synthesis and comprehensive in vivo activity profiling of olean-12-en-28-ol, 3\u03b2-pentacosanoate in experimental autoimmune encephalomyelitis: A natural remyelinating and anti-inflammatory agent","volume":"86","author":"\u015eenol","year":"2023","journal-title":"J. Nat. Prod."},{"issue":"7","key":"10.1016\/j.compbiolchem.2026.109333_bib61","doi-asserted-by":"crossref","first-page":"1552","DOI":"10.3390\/molecules23071552","article-title":"An Improved Scalable Synthesis of alpha- and beta-Amyrin","volume":"23","author":"Serbian","year":"2018","journal-title":"Molecules"},{"issue":"1","key":"10.1016\/j.compbiolchem.2026.109333_bib62","first-page":"10","article-title":"Cancer statistics, 2025","volume":"75","author":"Siegel","year":"2025","journal-title":"CA Cancer J. Clin."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib63","unstructured":"A.C. Society, Cancer Facts & Figures 2025, 2025. https:\/\/www.cancer.org\/research\/cancer-facts-statistics\/allcancer-facts-figures\/2025-cancer-facts-figures.html."},{"issue":"6","key":"10.1016\/j.compbiolchem.2026.109333_bib64","doi-asserted-by":"crossref","first-page":"3377","DOI":"10.1016\/j.bmc.2007.12.008","article-title":"Synthetic derivatives of the alpha- and beta-amyrin triterpenes and their antinociceptive properties","volume":"16","author":"Soldi","year":"2008","journal-title":"Bioorg. Med. Chem."},{"issue":"15","key":"10.1016\/j.compbiolchem.2026.109333_bib65","doi-asserted-by":"crossref","first-page":"3054","DOI":"10.1021\/acs.orglett.4c00697","article-title":"Function-Oriented Synthesis of Pentacyclic Triterpenoids and Discovery of an ent-Estrane as a Natural Product-Inspired Androgen Receptor Antagonist","volume":"26","author":"Stempel","year":"2024","journal-title":"Org. Lett."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib66","doi-asserted-by":"crossref","DOI":"10.1016\/j.hermed.2019.100302","article-title":"\u03b1-Glucosidase and \u03b1-amylase inhibitory activities of medicinal plants in Thai antidiabetic recipes and bioactive compounds from Vitex glabrata R. Br. stem bark","volume":"19","author":"Thengyai","year":"2020","journal-title":"J. Herb. Med."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib67","first-page":"1","article-title":"Design, synthesis, and cytotoxic evaluation of new thiosemicarbazone\/thiazolidin-4-one derivatives on PC3 cells","author":"Tokali","year":"2025","journal-title":"Future Med. Chem."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib68","doi-asserted-by":"crossref","DOI":"10.1016\/j.molliq.2025.127487","article-title":"Aldose reductase inhibition properties of novel thiazolidin-2,4-diones: In vitro and in silico approach for the treatment of diabetes-related complications","volume":"426","author":"Tokal\u0131","year":"2025","journal-title":"J. Mol. Liq."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib69","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2025.144425","article-title":"Design and synthesis of new thienopyrimidine derivatives as potential anticancer agents: From cytotoxicity screening to VEGFR inhibition modeling","volume":"1352","author":"Tokal\u0131","year":"2026","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib70","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2024.139519","article-title":"Exploring highly selective polymethoxy fenamate isosteres as novel anti-prostate cancer agents: Synthesis, biological activity, molecular docking, molecular dynamics, and ADME studies","volume":"1319","author":"Tokal\u0131","year":"2025","journal-title":"J. Mol. Struct."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib71","doi-asserted-by":"crossref","DOI":"10.1016\/j.molstruc.2026.145703","article-title":"Design and synthesis of Polymethoxy Rhodanines as selective small-molecule candidates for breast cancers","volume":"1361","author":"Tokal\u0131","year":"2026","journal-title":"J. Mol. Struct."},{"issue":"4","key":"10.1016\/j.compbiolchem.2026.109333_bib72","doi-asserted-by":"crossref","first-page":"415","DOI":"10.1080\/17568919.2026.2620368","article-title":"New quinazolinone-thiazolidinedione hybrids as selective anti-lung cancer agents and promising EGFR inhibitors","volume":"18","author":"Tokal\u0131","year":"2026","journal-title":"Future Med. Chem."},{"issue":"3","key":"10.1016\/j.compbiolchem.2026.109333_bib73","doi-asserted-by":"crossref","first-page":"482","DOI":"10.1021\/np0600402","article-title":"Bioactive triterpenoids from Salvia species","volume":"69","author":"Topcu","year":"2006","journal-title":"J. Nat. Prod."},{"issue":"11","key":"10.1016\/j.compbiolchem.2026.109333_bib74","first-page":"892","article-title":"Triterpenoids of the roots of Lavandula stoechas ssp stoechas","volume":"56","author":"Topcu","year":"2001","journal-title":"Pharmazie"},{"issue":"43","key":"10.1016\/j.compbiolchem.2026.109333_bib75","doi-asserted-by":"crossref","first-page":"11793","DOI":"10.1016\/0040-4020(95)00740-Y","article-title":"New rearranged neoclerodane diterpenoids from teucrium-alyssifolium","volume":"51","author":"Topcu","year":"1995","journal-title":"Tetrahedron"},{"issue":"5","key":"10.1016\/j.compbiolchem.2026.109333_bib76","doi-asserted-by":"crossref","first-page":"584","DOI":"10.1515\/znb-2004-0518","article-title":"A new clerodane diterpene and other constituents from Ajuga chamaepitys ssp laevigata","volume":"59","author":"Topcu","year":"2004","journal-title":"Z. Naturforsch. (B"},{"key":"10.1016\/j.compbiolchem.2026.109333_bib77","first-page":"3","article-title":"Investigation of anticholinesterase activity of a series of Salvia extracts and the constituents of Salvia staminea","volume":"3","author":"Topcu","year":"2013","journal-title":"Nat. Prod. J."},{"issue":"2","key":"10.1016\/j.compbiolchem.2026.109333_bib78","doi-asserted-by":"crossref","first-page":"501","DOI":"10.1016\/0031-9422(95)00245-3","article-title":"Terpenoids and flavonoids from the aerial parts of salvia-candidissima","volume":"40","author":"Topcu","year":"1995","journal-title":"Phytochemistry"},{"issue":"1","key":"10.1016\/j.compbiolchem.2026.109333_bib79","doi-asserted-by":"crossref","first-page":"118","DOI":"10.1021\/np030359b","article-title":"Highly hydroxylated triterpenes from Salvia kronenburgii","volume":"67","author":"Topcu","year":"2004","journal-title":"J. Nat. Prod."},{"issue":"12","key":"10.1016\/j.compbiolchem.2026.109333_bib80","doi-asserted-by":"crossref","first-page":"1605","DOI":"10.1021\/np990165p","article-title":"Terpenoids from Salvia kronenburgii","volume":"62","author":"Topcu","year":"1999","journal-title":"J. Nat. Prod."},{"issue":"4","key":"10.1016\/j.compbiolchem.2026.109333_bib81","doi-asserted-by":"crossref","first-page":"421","DOI":"10.1016\/j.phytol.2011.05.002","article-title":"Ovarian antiproliferative activity directed isolation of triterpenoids from fruits of Eucalyptus camaldulensis Dehnh","volume":"4","author":"Topcu","year":"2011","journal-title":"Phytochem. Lett."},{"issue":"18","key":"10.1016\/j.compbiolchem.2026.109333_bib82","doi-asserted-by":"crossref","first-page":"4574","DOI":"10.3390\/ijms20184574","article-title":"Key Topics in Molecular Docking for Drug Design","volume":"20","author":"Torres","year":"2019","journal-title":"Int. J. Mol. Sci."},{"issue":"6","key":"10.1016\/j.compbiolchem.2026.109333_bib83","doi-asserted-by":"crossref","first-page":"617","DOI":"10.2174\/1573406414666180222094544","article-title":"Synthesis of Oleanolic Acid Analogues and Their Cytotoxic Effects on 3T3 Cell Line","volume":"14","author":"Tuncay","year":"2018","journal-title":"Med. Chem."},{"key":"10.1016\/j.compbiolchem.2026.109333_bib84","doi-asserted-by":"crossref","DOI":"10.1002\/cbdv.202500269","article-title":"Therapeutic Potential of Nitrogen-Substituted Oleanolic Acid Derivatives in Neuroinflammatory and Cytokine Pathways: Insights From Cell-Based and Computational Models","author":"Turgut","year":"2025","journal-title":"Chem. Biodivers."},{"issue":"1","key":"10.1016\/j.compbiolchem.2026.109333_bib85","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1016\/S0304-3835(01)00769-8","article-title":"Constituents of Compositae plants III. Anti-tumor promoting effects and cytotoxic activity against human cancer cell lines of triterpene diols and triols from edible chrysanthemum flowers","volume":"177","author":"Ukiya","year":"2002","journal-title":"Cancer Lett."},{"issue":"6","key":"10.1016\/j.compbiolchem.2026.109333_bib86","doi-asserted-by":"crossref","first-page":"1221","DOI":"10.1016\/S0031-9422(97)00146-5","article-title":"Terpenoids from Salvia candidissima subsp. candidissima","volume":"45","author":"Ulubelen","year":"1997","journal-title":"Phytochemistry"},{"issue":"6","key":"10.1016\/j.compbiolchem.2026.109333_bib87","doi-asserted-by":"crossref","first-page":"1068","DOI":"10.1021\/np50036a047","article-title":"Flavonoids and terpenoids from salvia-verticillata and salvia-pinnata","volume":"47","author":"Ulubelen","year":"1984","journal-title":"J. Nat. Prod."},{"issue":"1","key":"10.1016\/j.compbiolchem.2026.109333_bib88","doi-asserted-by":"crossref","first-page":"133","DOI":"10.1016\/0031-9422(84)83092-7","article-title":"Triterpenoids from salvia-pinnata","volume":"23","author":"Ulubelen","year":"1984","journal-title":"Phytochemistry"},{"issue":"4","key":"10.1016\/j.compbiolchem.2026.109333_bib89","doi-asserted-by":"crossref","first-page":"971","DOI":"10.1016\/S0031-9422(00)90474-6","article-title":"Terpenoids from salvia-sclarea","volume":"36","author":"Ulubelen","year":"1994","journal-title":"Phytochemistry"},{"issue":"14","key":"10.1016\/j.compbiolchem.2026.109333_bib90","doi-asserted-by":"crossref","first-page":"3469","DOI":"10.3390\/ijms20143469","article-title":"Molecular Docking and Molecular Dynamics Studies on Selective Synthesis of \u03b1-Amyrin and \u03b2-Amyrin by Oxidosqualene Cyclases from Ilex Asprella","volume":"20","author":"Wu","year":"2019","journal-title":"Int. J. Mol. Sci."},{"issue":"8","key":"10.1016\/j.compbiolchem.2026.109333_bib91","first-page":"1673","article-title":"Amyrin exerts potent anxiolytic and antidepressant effects via mechanisms involving monoamine oxidase and \u03b3-aminobutyric acid in mouse hippocampus","volume":"18","author":"Xu","year":"2019","journal-title":"TROPICAL J. Pharm. Res"},{"issue":"10","key":"10.1016\/j.compbiolchem.2026.109333_bib92","doi-asserted-by":"crossref","first-page":"8807","DOI":"10.1039\/D5RA10080A","article-title":"Synthesis, multi-target evaluation and DFT analysis of 6-hydroxychromone derived hydrazones with carbonic anhydrase I\u2013II\/acetylcholinesterase inhibition and antioxidant activity","volume":"16","author":"Zareen","year":"2026","journal-title":"Rsc Adv."},{"issue":"5","key":"10.1016\/j.compbiolchem.2026.109333_bib93","doi-asserted-by":"crossref","first-page":"349","DOI":"10.1007\/s10557-006-0509-4","article-title":"Ursane triterpenoids inhibit atherosclerosis and xanthoma in LDL receptor knockout mice","volume":"20","author":"Zhang","year":"2006","journal-title":"Cardiovasc. Drugs Ther."}],"container-title":["Computational Biology and Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1476927126004603?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S1476927126004603?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2026,10,28]],"date-time":"2026-10-28T00:44:31Z","timestamp":1793148271000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S1476927126004603"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,12]]},"references-count":93,"alternative-id":["S1476927126004603"],"URL":"https:\/\/doi.org\/10.1016\/j.compbiolchem.2026.109333","relation":{},"ISSN":["1476-9271"],"issn-type":[{"value":"1476-9271","type":"print"}],"subject":[],"published":{"date-parts":[[2026,12]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Short and efficient synthesis of the natural triterpenoids \u03b1- and \u03b2-amyrins with detailed in silico screening and in vitro anticancer evaluation against breast and prostate cancer cells","name":"articletitle","label":"Article Title"},{"value":"Computational Biology and Chemistry","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.compbiolchem.2026.109333","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2026 Elsevier Ltd. All rights are reserved, including those for text and data mining, AI training, and similar technologies.","name":"copyright","label":"Copyright"}],"article-number":"109333"}}