Cribado virtual de Análogos de Osimertinib y Dacomitinib con actividad potencial sobre el receptor de factor de crecimiento epidérmico EGFR (MUTACIONES T790M Y L858R) para el tratamiento del cáncer de pulmón no microcítico

Autores:
Luna Torres, Leydis
Contreras Puentes, Neyder
Avíz Amador, Antistio
Tipo de recurso:
Article of journal
Fecha de publicación:
2021
Institución:
Universidad de Cartagena
Repositorio:
Repositorio Universidad de Cartagena
Idioma:
eng
OAI Identifier:
oai:repositorio.unicartagena.edu.co:11227/13916
Acceso en línea:
https://doi.org/10.32997/rcb-2021-3666
Palabra clave:
EGFR
Osimertinib
Dacomitinib
Docking
Tyrosine kinase
EGFR
Osimertinib
Dacomitinib
Acoplamiento molecular
Tirosina quinasa
Rights
openAccess
License
https://creativecommons.org/licenses/by-nc-sa/4.0
id UCART2_7021c4a6b8810e33e91093c475c97c3b
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network_acronym_str UCART2
network_name_str Repositorio Universidad de Cartagena
repository_id_str
dc.title.spa.fl_str_mv Cribado virtual de Análogos de Osimertinib y Dacomitinib con actividad potencial sobre el receptor de factor de crecimiento epidérmico EGFR (MUTACIONES T790M Y L858R) para el tratamiento del cáncer de pulmón no microcítico
dc.title.translated.eng.fl_str_mv Virtual screening of Osimertinib and Dacomitinib Analogues with potential activity on EGFR (T790M and l858R Mutations) for non-small cell lung cancer treatment
title Cribado virtual de Análogos de Osimertinib y Dacomitinib con actividad potencial sobre el receptor de factor de crecimiento epidérmico EGFR (MUTACIONES T790M Y L858R) para el tratamiento del cáncer de pulmón no microcítico
spellingShingle Cribado virtual de Análogos de Osimertinib y Dacomitinib con actividad potencial sobre el receptor de factor de crecimiento epidérmico EGFR (MUTACIONES T790M Y L858R) para el tratamiento del cáncer de pulmón no microcítico
EGFR
Osimertinib
Dacomitinib
Docking
Tyrosine kinase
EGFR
Osimertinib
Dacomitinib
Acoplamiento molecular
Tirosina quinasa
title_short Cribado virtual de Análogos de Osimertinib y Dacomitinib con actividad potencial sobre el receptor de factor de crecimiento epidérmico EGFR (MUTACIONES T790M Y L858R) para el tratamiento del cáncer de pulmón no microcítico
title_full Cribado virtual de Análogos de Osimertinib y Dacomitinib con actividad potencial sobre el receptor de factor de crecimiento epidérmico EGFR (MUTACIONES T790M Y L858R) para el tratamiento del cáncer de pulmón no microcítico
title_fullStr Cribado virtual de Análogos de Osimertinib y Dacomitinib con actividad potencial sobre el receptor de factor de crecimiento epidérmico EGFR (MUTACIONES T790M Y L858R) para el tratamiento del cáncer de pulmón no microcítico
title_full_unstemmed Cribado virtual de Análogos de Osimertinib y Dacomitinib con actividad potencial sobre el receptor de factor de crecimiento epidérmico EGFR (MUTACIONES T790M Y L858R) para el tratamiento del cáncer de pulmón no microcítico
title_sort Cribado virtual de Análogos de Osimertinib y Dacomitinib con actividad potencial sobre el receptor de factor de crecimiento epidérmico EGFR (MUTACIONES T790M Y L858R) para el tratamiento del cáncer de pulmón no microcítico
dc.creator.fl_str_mv Luna Torres, Leydis
Contreras Puentes, Neyder
Avíz Amador, Antistio
dc.contributor.author.spa.fl_str_mv Luna Torres, Leydis
Contreras Puentes, Neyder
Avíz Amador, Antistio
dc.subject.eng.fl_str_mv EGFR
Osimertinib
Dacomitinib
Docking
Tyrosine kinase
topic EGFR
Osimertinib
Dacomitinib
Docking
Tyrosine kinase
EGFR
Osimertinib
Dacomitinib
Acoplamiento molecular
Tirosina quinasa
dc.subject.spa.fl_str_mv EGFR
Osimertinib
Dacomitinib
Acoplamiento molecular
Tirosina quinasa
publishDate 2021
dc.date.accessioned.none.fl_str_mv 2021-10-15 00:00:00
dc.date.available.none.fl_str_mv 2021-10-15 00:00:00
dc.date.issued.none.fl_str_mv 2021-10-15
dc.type.spa.fl_str_mv Artículo de revista
dc.type.coar.fl_str_mv http://purl.org/coar/resource_type/c_2df8fbb1
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dc.type.content.eng.fl_str_mv Text
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dc.type.local.eng.fl_str_mv Journal article
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dc.identifier.issn.none.fl_str_mv 2215-7840
dc.identifier.doi.none.fl_str_mv 10.32997/rcb-2021-3666
dc.identifier.eissn.none.fl_str_mv 2389-7252
dc.identifier.url.none.fl_str_mv https://doi.org/10.32997/rcb-2021-3666
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url https://doi.org/10.32997/rcb-2021-3666
dc.language.iso.eng.fl_str_mv eng
language eng
dc.relation.ispartofjournal.spa.fl_str_mv Revista Ciencias Biomédicas
dc.relation.bitstream.none.fl_str_mv https://revistas.unicartagena.edu.co/index.php/cbiomedicas/article/download/3666/3029
dc.relation.citationedition.spa.fl_str_mv Núm. 4 , Año 2021
dc.relation.citationendpage.none.fl_str_mv 245
dc.relation.citationissue.spa.fl_str_mv 4
dc.relation.citationstartpage.none.fl_str_mv 234
dc.relation.citationvolume.spa.fl_str_mv 10
dc.relation.references.eng.fl_str_mv Campos-parra AD, Cruz-rico G, Arrieta O. Genotipificación en cáncer de pulmón de células no pequeñas. Gac Mex Oncol. 2012;1(22):35–44.
Remon J, Caramella C, Jovelet C, Lacroix L, Lawson A, Smalley S, et al. Osimertinib benefit in EGFR-mutant NSCLC patients with T790M-mutation detected by circulating tumour DNA. Ann Oncol. 2017;28(4):784–90.
Contreras-Puentes N, Mercado-Camargo J, Alvíz-Amador A. In silico study of ginsenoside analogues as possible BACE1 inhibitors involved in Alzheimer’s disease. F1000Research. 2019;8:1169.
Trott O, Olson AJ. Software News and Update AutoDock Vina: Improving the Speed and Accuracy of Docking with a New Scoring Function, Efficient Optimization, and Multithreading. J Comput Chem. 2010;31(2):455–461.
Dassault Systemes BIOVIA. Discovery Studio Visualizer 4.5 (2016). 2016.
Fernández Molina JC, Pérez Pérez V. El receptor de EGF (EGFR): una diana terapéutica para el tratamiento den cáncer y sus inhibidores. España; 2006.
Hanan EJ, Baumgardner M, Bryan MC, Chen Y, Eigenbrot C, Fan P, et al. 4-Aminoindazolyl-dihydrofuro[3,4- d]pyrimidines as non-covalent inhibitors of mutant epidermal growth factor receptor tyrosine kinase. Bioorganic Med Chem Lett. 2016;26(2):534–9.
Hanan EJ, Eigenbrot C, Bryan MC, Burdick DJ, Chan BK, Chen Y, et al. Discovery of selective and noncovalent diaminopyrimidine-based inhibitors of epidermal growth factor receptor containing the T790M resistance mutation. J Med Chem. 2014;57(23):10176–91.
Reiersølmoen AC, Aarhus TI, Eckelta S, Nørsett KG, Sundby E, Hoff BH. Bioorganic Chemistry Potent and selective EGFR inhibitors based on 5-aryl-7 H - pyrrolopyrimidin-. Bioorg Chem. 2019;88:102918.
Tavakoli F, Ganjalikhany MR. Structure-based inhibitory peptide design targeting peptide-substrate binding site in EGFR tyrosine kinase. PLoS One. 2019;14(5):e0217031.
Lopez Reyes E. Sintesis de precursores para la preparación de acetileno-quinonas, modelos útiles para el estudio de la interacción no covalente del tipo pi/pi. Universidad nacional autónoma de México; 2010.
Gajiwala KS, Feng J, Ferre R, Ryan K, Brodsky O, Weinrich S, et al. Insights into the aberrant activity of mutant EGFR kinase domain and drug recognition. Structure. 2013;21(2):209–19.
European Medicines Agency. Assessment report - Vizimpro. 2019. p. 7–144.
Jänne PA, Boss DS, Camidge DR, Britten CD, Engelman JA, Garon EB, et al. Phase I Dose-escalation Study of the Pan-HER Inhibitor, PF299804, in Patients with Advanced Malignant Solid Tumors. Clin Cancer Res. 2011;17(5):1131–9.
Lavacchi D, Mazzoni F, Giaccone G. Clinical evaluation of dacomitinib for the treatment of metastatic non-small cell lung cancer (NSCLC): current perspectives. Drug Des Devel Ther. 2019;13:3187–98.
DongS,LiY,YangH,WuY,LiY,DingC,etal.An Accurate and Effective Method for Measuring Osimertinib by UPLC-TOF-MS and Its Pharmacokinetic Study in Rats. 2018;23(11):2894.
Vishwanathan K, So K, Thomas K, Bramley A, English S, Collier J. Absolute Bioavailability of Osimertinib in Healthy Adults. Clin Pharmacol Drug Dev. 2019;8(2):198–207.
Planchard D, Brown KH, Wan D, Sang K, Kim W, Ohe Y, et al. Osimertinib Western and Asian clinical pharmacokinetics in patients and healthy volunteers: implications for formulation, dose, and dosing frequency in pivotal clinical studies. Cancer Chemother Pharmacol. 2016;77(4):767–76.
Schiefer M, Hendriks LEL, Dinh T, Lalji U, Dingemans AC. ScienceDirect Current perspective : Osimertinib- induced QT prolongation : new drugs with new side-effects need careful patient monitoring. Eur J Cancer. 2018;91:92– 8.
Xu Z, Li J. Comparative review of drug – drug interactions with epidermal growth factor receptor tyrosine kinase inhibitors for the treatment of non-small-cell lung cancer. Onco Targets Ther. 2019;12:5467–84.
Macleod AK, Lin D, Huang JTJ, Mclaughlin LA, Henderson CJ, Wolf CR. Cancer Therapy: Preclinical Identification of Novel Pathways of Osimertinib Disposition and Potential Implications for the Outcome of Lung Cancer Therapy. Clin Cancer Res. 2018;24(9):2138–48.
Sepúlveda JM, Sánchez-gómez P, Ángeles M, Salgado V, Gargini R, Balañá C. Ac ce pt cr t. Expert Opin Investig Drugs. 2018;0(0):1.
Bello CL, Labadie RR, Ni G, Boutros T, Mccormick C, Ndongo MN. The effect of dacomitinib (PF-00299804) on CYP2D6 activity in healthy volunteers who are extensive or intermediate metabolizers. Cancer Chemother Pharmacol. 2012;69(4):991–7.
Garcia AR, Giri N, Labadie RR, Ni G, Boutros T, Richie N, et al. A Phase I Open ‐ Label Study to Investigate the Potential Drug – Drug Interaction Between Single ‐ Dose Dacomitinib and Steady ‐ State Paroxetine in Healthy Volunteers. J Clin Pharmacol. 2013;54(5):555–462.
Liam CK. Osimertinib as first-line treatment of EGFR mutant advanced nonsmall- cell lung cancer. Transl Lung Cancer Res. 2017;6(Suppl 1):S62–6.
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spelling Luna Torres, LeydisContreras Puentes, NeyderAvíz Amador, Antistio2021-10-15 00:00:002021-10-15 00:00:002021-10-152215-784010.32997/rcb-2021-36662389-7252https://doi.org/10.32997/rcb-2021-3666application/pdfengUniversidad de CartagenaRevista Ciencias Biomédicashttps://revistas.unicartagena.edu.co/index.php/cbiomedicas/article/download/3666/3029Núm. 4 , Año 2021245423410Campos-parra AD, Cruz-rico G, Arrieta O. Genotipificación en cáncer de pulmón de células no pequeñas. Gac Mex Oncol. 2012;1(22):35–44.Remon J, Caramella C, Jovelet C, Lacroix L, Lawson A, Smalley S, et al. Osimertinib benefit in EGFR-mutant NSCLC patients with T790M-mutation detected by circulating tumour DNA. Ann Oncol. 2017;28(4):784–90.Contreras-Puentes N, Mercado-Camargo J, Alvíz-Amador A. In silico study of ginsenoside analogues as possible BACE1 inhibitors involved in Alzheimer’s disease. F1000Research. 2019;8:1169.Trott O, Olson AJ. Software News and Update AutoDock Vina: Improving the Speed and Accuracy of Docking with a New Scoring Function, Efficient Optimization, and Multithreading. J Comput Chem. 2010;31(2):455–461.Dassault Systemes BIOVIA. Discovery Studio Visualizer 4.5 (2016). 2016.Fernández Molina JC, Pérez Pérez V. El receptor de EGF (EGFR): una diana terapéutica para el tratamiento den cáncer y sus inhibidores. España; 2006.Hanan EJ, Baumgardner M, Bryan MC, Chen Y, Eigenbrot C, Fan P, et al. 4-Aminoindazolyl-dihydrofuro[3,4- d]pyrimidines as non-covalent inhibitors of mutant epidermal growth factor receptor tyrosine kinase. Bioorganic Med Chem Lett. 2016;26(2):534–9.Hanan EJ, Eigenbrot C, Bryan MC, Burdick DJ, Chan BK, Chen Y, et al. Discovery of selective and noncovalent diaminopyrimidine-based inhibitors of epidermal growth factor receptor containing the T790M resistance mutation. J Med Chem. 2014;57(23):10176–91.Reiersølmoen AC, Aarhus TI, Eckelta S, Nørsett KG, Sundby E, Hoff BH. Bioorganic Chemistry Potent and selective EGFR inhibitors based on 5-aryl-7 H - pyrrolopyrimidin-. Bioorg Chem. 2019;88:102918.Tavakoli F, Ganjalikhany MR. Structure-based inhibitory peptide design targeting peptide-substrate binding site in EGFR tyrosine kinase. PLoS One. 2019;14(5):e0217031.Lopez Reyes E. Sintesis de precursores para la preparación de acetileno-quinonas, modelos útiles para el estudio de la interacción no covalente del tipo pi/pi. Universidad nacional autónoma de México; 2010.Gajiwala KS, Feng J, Ferre R, Ryan K, Brodsky O, Weinrich S, et al. Insights into the aberrant activity of mutant EGFR kinase domain and drug recognition. Structure. 2013;21(2):209–19.European Medicines Agency. Assessment report - Vizimpro. 2019. p. 7–144.Jänne PA, Boss DS, Camidge DR, Britten CD, Engelman JA, Garon EB, et al. Phase I Dose-escalation Study of the Pan-HER Inhibitor, PF299804, in Patients with Advanced Malignant Solid Tumors. Clin Cancer Res. 2011;17(5):1131–9.Lavacchi D, Mazzoni F, Giaccone G. Clinical evaluation of dacomitinib for the treatment of metastatic non-small cell lung cancer (NSCLC): current perspectives. Drug Des Devel Ther. 2019;13:3187–98.DongS,LiY,YangH,WuY,LiY,DingC,etal.An Accurate and Effective Method for Measuring Osimertinib by UPLC-TOF-MS and Its Pharmacokinetic Study in Rats. 2018;23(11):2894.Vishwanathan K, So K, Thomas K, Bramley A, English S, Collier J. Absolute Bioavailability of Osimertinib in Healthy Adults. Clin Pharmacol Drug Dev. 2019;8(2):198–207.Planchard D, Brown KH, Wan D, Sang K, Kim W, Ohe Y, et al. Osimertinib Western and Asian clinical pharmacokinetics in patients and healthy volunteers: implications for formulation, dose, and dosing frequency in pivotal clinical studies. Cancer Chemother Pharmacol. 2016;77(4):767–76.Schiefer M, Hendriks LEL, Dinh T, Lalji U, Dingemans AC. ScienceDirect Current perspective : Osimertinib- induced QT prolongation : new drugs with new side-effects need careful patient monitoring. Eur J Cancer. 2018;91:92– 8.Xu Z, Li J. Comparative review of drug – drug interactions with epidermal growth factor receptor tyrosine kinase inhibitors for the treatment of non-small-cell lung cancer. Onco Targets Ther. 2019;12:5467–84.Macleod AK, Lin D, Huang JTJ, Mclaughlin LA, Henderson CJ, Wolf CR. Cancer Therapy: Preclinical Identification of Novel Pathways of Osimertinib Disposition and Potential Implications for the Outcome of Lung Cancer Therapy. Clin Cancer Res. 2018;24(9):2138–48.Sepúlveda JM, Sánchez-gómez P, Ángeles M, Salgado V, Gargini R, Balañá C. Ac ce pt cr t. Expert Opin Investig Drugs. 2018;0(0):1.Bello CL, Labadie RR, Ni G, Boutros T, Mccormick C, Ndongo MN. The effect of dacomitinib (PF-00299804) on CYP2D6 activity in healthy volunteers who are extensive or intermediate metabolizers. Cancer Chemother Pharmacol. 2012;69(4):991–7.Garcia AR, Giri N, Labadie RR, Ni G, Boutros T, Richie N, et al. A Phase I Open ‐ Label Study to Investigate the Potential Drug – Drug Interaction Between Single ‐ Dose Dacomitinib and Steady ‐ State Paroxetine in Healthy Volunteers. J Clin Pharmacol. 2013;54(5):555–462.Liam CK. Osimertinib as first-line treatment of EGFR mutant advanced nonsmall- cell lung cancer. Transl Lung Cancer Res. 2017;6(Suppl 1):S62–6.https://creativecommons.org/licenses/by-nc-sa/4.0http://purl.org/coar/access_right/c_abf2info:eu-repo/semantics/openAccessEsta obra está bajo una licencia internacional Creative Commons Atribución-NoComercial-CompartirIgual 4.0.https://revistas.unicartagena.edu.co/index.php/cbiomedicas/article/view/3666EGFROsimertinibDacomitinibDockingTyrosine kinaseEGFROsimertinibDacomitinibAcoplamiento molecularTirosina quinasaCribado virtual de Análogos de Osimertinib y Dacomitinib con actividad potencial sobre el receptor de factor de crecimiento epidérmico EGFR (MUTACIONES T790M Y L858R) para el tratamiento del cáncer de pulmón no microcíticoVirtual screening of Osimertinib and Dacomitinib Analogues with potential activity on EGFR (T790M and l858R Mutations) for non-small cell lung cancer treatmentArtículo de revistainfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/version/c_970fb48d4fbd8a85http://purl.org/coar/resource_type/c_6501http://purl.org/coar/resource_type/c_2df8fbb1Textinfo:eu-repo/semantics/articleJournal articlehttp://purl.org/redcol/resource_type/ARTPublicationOREORE.xmltext/xml2947https://repositorio.unicartagena.edu.co/bitstreams/1b784b8a-ed68-48de-8f7d-4f2b37cec60f/download6ba44e6ae6ff1591011eaa33093f8f8dMD5111227/13916oai:repositorio.unicartagena.edu.co:11227/139162024-09-05 15:30:36.765https://creativecommons.org/licenses/by-nc-sa/4.0metadata.onlyhttps://repositorio.unicartagena.edu.coBiblioteca Digital Universidad de Cartagenabdigital@metabiblioteca.com

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