{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,19]],"date-time":"2026-03-19T03:07:31Z","timestamp":1773889651316,"version":"3.50.1"},"reference-count":56,"publisher":"Georg Thieme Verlag KG","issue":"02\/03","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Drug Res (Stuttg)"],"published-print":{"date-parts":[[2026,3]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Several studies have shown that some drugs can slow the growth of cancer\n                        cells by inhibiting the c-Abl kinase. However, some of these drugs can cause\n                        side effects such as gynecomastia, pulmonary toxicity, and lentiginosis,\n                        among others. In the search for a therapeutic alternative, some amide\n                        derivatives have been developed to treat cancer. However, their interaction\n                        with the c-Abl kinase is not clear.<\/jats:p>\n                  <jats:p>The aim of this study was to evaluate the interaction of 28 amide derivatives\n                        with the c-Abl kinase as a therapeutic alternative to treat cancer\n                        cells.<\/jats:p>\n                  <jats:p>The theoretical interaction of amide derivatives with the c-Abl kinase was\n                        carried out using the 1iep protein as a theoretical model. Besides,\n                        bosutinib, dasatinib, imatinib, nilotinib, and radotinib were used as\n                        controls in the DockingServer program.<\/jats:p>\n                  <jats:p>The results displayed different types of aminoacid residues involved in the\n                        interaction of amide derivatives with the 1iep protein surface compared to\n                        the controls. In addition, the inhibition constant (Ki) was lower for\n                        compounds 15, 16, and 18 compared to radotinib. Finally, the Ki for amide\n                        derivatives 1, 19, and 21 were lower compared with bosutinib, dasatinib,\n                        imatinib, and nilotinib.<\/jats:p>\n                  <jats:p>Theoretical data indicate that amide derivatives such as 1, 15, 16, 18, 19,\n                        and 21 might have a higher affinity for the 1iep protein surface. This\n                        phenomenon could be translated as c-Abl kinase inhibition, resulting in a\n                        decrease in cancer cell growth.<\/jats:p>","DOI":"10.1055\/a-2793-9663","type":"journal-article","created":{"date-parts":[[2026,2,3]],"date-time":"2026-02-03T23:48:29Z","timestamp":1770162509000},"page":"91-98","source":"Crossref","is-referenced-by-count":0,"title":["Intramolecular Interactions of Twenty-Eight Amide Derivatives with\n                    the C-ALB Kinase using a Theoretical Model as a Therapeutic Alternative to Treat\n                    Cancer"],"prefix":"10.1055","volume":"76","author":[{"given":"Marcela","family":"Rosas-Nexticapa","sequence":"additional","affiliation":[{"name":"Nutrition, Universidad Veracruzana, Xalapa,\n                    Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Magdalena","family":"Alvarez-Ramirez","sequence":"additional","affiliation":[{"name":"Nutrition, Universidad Veracruzana, Xalapa,\n                    Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Maria Virginia","family":"Mateu-Armad","sequence":"additional","affiliation":[{"name":"Nutrition, Universidad Veracruzana, Xalapa,\n                    Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Enrique","family":"Bonilla Zavaleta","sequence":"additional","affiliation":[{"name":"Nutrition, Universidad Veracruzana, Xalapa,\n                    Mexico"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"194","published-online":{"date-parts":[[2026,2,3]]},"reference":[{"issue":"18","key":"ref1","doi-asserted-by":"crossref","first-page":"4833","DOI":"10.1016\/j.cell.2024.07.012","article-title":"A systems view of the vascular endothelium in health and disease","volume":"187","author":"H 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Basis, form, scope, parametrization, and\n                    performance of MMFF94","volume":"17","author":"T Halgren","year":"1998","journal-title":"J Comp Chem"},{"issue":"14","key":"ref38","doi-asserted-by":"crossref","first-page":"1639","DOI":"10.1002\/(SICI)1096-987X(19981115)19:14<1639::AID-JCC10>3.0.CO;2-B","article-title":"Automated docking using a Lamarckian genetic algorithm and an empirical binding\n                    free energy function","volume":"19","author":"G Morris","year":"1998","journal-title":"J Comp Chem"},{"issue":"01","key":"ref39","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1287\/moor.6.1.19","article-title":"Minimization by Random Search Techniques","volume":"6","author":"F Solis","year":"1981","journal-title":"Math Oper Res"},{"key":"ref40","doi-asserted-by":"crossref","first-page":"42717","DOI":"10.1038\/srep42717","article-title":"SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and\n                    medicinal 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Alshehr","year":"2025","journal-title":"J Biomol Struct Dyn"},{"issue":"18","key":"ref46","doi-asserted-by":"publisher","first-page":"4210","DOI":"10.3390\/molecules25184210","article-title":"Bcr-Abl allosteric inhibitors: where we are and where we are going to","volume":"25","author":"F Carofiglio","year":"2020","journal-title":"Molecules"},{"issue":"11","key":"ref47","doi-asserted-by":"publisher","first-page":"3278","DOI":"10.1021\/jm060236z","article-title":"A combination of docking\/dynamics simulations and pharmacophoric modeling to\n                    discover new dual c-Src\/Abl kinase inhibitors","volume":"49","author":"F Manetti","year":"2006","journal-title":"J Med Chem"},{"issue":"11","key":"ref48","doi-asserted-by":"publisher","first-page":"2435","DOI":"10.1021\/acs.jcim.5b00540","article-title":"Discovery of 2-acylaminothiophene-3-carboxamides as multitarget inhibitors for\n                    BCR-ABL kinase and microtubules","volume":"55","author":"R Cao","year":"2015","journal-title":"J Chem Inf Model"},{"issue":"05","key":"ref49","doi-asserted-by":"publisher","first-page":"1325","DOI":"10.1021\/ci500060k","article-title":"Insight into the allosteric inhibition of Abl kinase","volume":"54","author":"A Fallacara","year":"2014","journal-title":"J Chem Inf Model"},{"issue":"09","key":"ref50","doi-asserted-by":"crossref","first-page":"4333","DOI":"10.1007\/s00894-012-1436-x","article-title":"Molecular interactions of c-ABL mutants in complex with imatinib\/nilotinib: a\n                    computational study using linear interaction energy (LIE) calculations","volume":"18","author":"E Pereira","year":"2012","journal-title":"J Mol Model"},{"issue":"16","key":"ref51","doi-asserted-by":"publisher","first-page":"3019","DOI":"10.1158\/1538-7445.AM2020-3019","article-title":"Non-linear absorption pharmacokinetics (PK) of the ATR inhibitor AZD6738 in\n                    mice","volume":"80","author":"B Kiesel","year":"2020","journal-title":"Cancer Res"},{"issue":"04","key":"ref52","doi-asserted-by":"publisher","first-page":"227","DOI":"10.1016\/0169-2607(92)90103-E","article-title":"APIS: a software for model identification, simulation and dosage regimen\n                    calculations in clinical and experimental pharmacokinetics","volume":"38","author":"A Iliadis","year":"1992","journal-title":"Computer Meth Prog Biomed"},{"issue":"03","key":"ref53","doi-asserted-by":"publisher","first-page":"183","DOI":"10.1016\/S0169-2607(96)01770-1","article-title":"CXT-MAIN: a software package for determination of the analytical form of the\n                    pharmacokinetic system weighting function","volume":"51","author":"L Ded\u00edk","year":"1996","journal-title":"Computer Meth Prog Biomed"},{"issue":"01","key":"ref54","doi-asserted-by":"publisher","first-page":"5","DOI":"10.1093\/toxsci\/kfl103","article-title":"The ToxCast program for prioritizing toxicity testing of environmental\n  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