Small molecules against B-RAF (BRAF) Val600Glu (V600E) single mutation

Florin Zaharie,1,* Roxana Cojocneanu-Petric,1,* Mihai Muresan,1 Ioana Frinc,2 Delia Dima,2 Bobe Petrushev,3 Alina Tanase,4 Cristian Berce,1 Mariana Chitic,2 Ioana Berindan-Neagoe,1 Valentina Pileczki,1 Alexandru Irimie,5 Ciprian Tomuleasa2 1Iuliu Hatieganu University of Medicine and Pharmacy, 2Depar...

Descripción completa

Guardado en:
Detalles Bibliográficos
Autores principales: Zaharie F, Cojocneanu-Petric R, Muresan M, Frinc I, Dima D, Petrushev B, Tanase A, Berce C, Chitic M, Berindan-Neagoe I, Pileczki V, Irimie A, Tomuleasa C
Formato: article
Lenguaje:EN
Publicado: Dove Medical Press 2015
Materias:
Acceso en línea:https://doaj.org/article/b540d2abbc8047b29da8f1d0cee14b02
Etiquetas: Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
id oai:doaj.org-article:b540d2abbc8047b29da8f1d0cee14b02
record_format dspace
spelling oai:doaj.org-article:b540d2abbc8047b29da8f1d0cee14b022021-12-02T05:02:13ZSmall molecules against B-RAF (BRAF) Val600Glu (V600E) single mutation1178-2013https://doaj.org/article/b540d2abbc8047b29da8f1d0cee14b022015-07-01T00:00:00Zhttp://www.dovepress.com/small-molecules-against-b-raf-braf-val600glu-v600e-single-mutation-peer-reviewed-article-IJNhttps://doaj.org/toc/1178-2013Florin Zaharie,1,* Roxana Cojocneanu-Petric,1,* Mihai Muresan,1 Ioana Frinc,2 Delia Dima,2 Bobe Petrushev,3 Alina Tanase,4 Cristian Berce,1 Mariana Chitic,2 Ioana Berindan-Neagoe,1 Valentina Pileczki,1 Alexandru Irimie,5 Ciprian Tomuleasa2 1Iuliu Hatieganu University of Medicine and Pharmacy, 2Department of Hematology, Ion Chiricuta Oncology Institute, 3Department of Pathology, Emergency University Hospital, Cluj Napoca, 4Department of Stem Cell Transplantation, Fundeni Clinical Institute, Bucharest, 5Department of Surgery, Ion Chiricuta Oncology Institute, Cluj Napoca, Romania *These authors contributed equally to this communicationWe have read with great interest the paper by Tang and Chen1 published in the most recent issue of the International Journal of Nanomedicine, in which the authors describe the protocol by which scientists constructed the ideal BRAF (V600E)-modeled structure through homology modeling and introduced the method of structure-based docking or virtual screening from a large compound database. They concluded that BRAF (V600E) has a quite prominent structural or conformational variation when compared to the wild-type BRAF protein by matrix of root mean square fluctuation and principal component analysis. On the basis of structure-based virtual screening, ligand-based quantitative structure activity relationship models, and molecular dynamics simulation, we recommend aknadicine and 16beta-hydroxy-19s-vindolinine N-oxide as potent compounds for developing novel inhibitors in the future. Read the original article Zaharie FCojocneanu-Petric RMuresan MFrinc IDima DPetrushev BTanase ABerce CChitic MBerindan-Neagoe IPileczki VIrimie ATomuleasa CDove Medical PressarticleMedicine (General)R5-920ENInternational Journal of Nanomedicine, Vol 2015, Iss default, Pp 4897-4899 (2015)
institution DOAJ
collection DOAJ
language EN
topic Medicine (General)
R5-920
spellingShingle Medicine (General)
R5-920
Zaharie F
Cojocneanu-Petric R
Muresan M
Frinc I
Dima D
Petrushev B
Tanase A
Berce C
Chitic M
Berindan-Neagoe I
Pileczki V
Irimie A
Tomuleasa C
Small molecules against B-RAF (BRAF) Val600Glu (V600E) single mutation
description Florin Zaharie,1,* Roxana Cojocneanu-Petric,1,* Mihai Muresan,1 Ioana Frinc,2 Delia Dima,2 Bobe Petrushev,3 Alina Tanase,4 Cristian Berce,1 Mariana Chitic,2 Ioana Berindan-Neagoe,1 Valentina Pileczki,1 Alexandru Irimie,5 Ciprian Tomuleasa2 1Iuliu Hatieganu University of Medicine and Pharmacy, 2Department of Hematology, Ion Chiricuta Oncology Institute, 3Department of Pathology, Emergency University Hospital, Cluj Napoca, 4Department of Stem Cell Transplantation, Fundeni Clinical Institute, Bucharest, 5Department of Surgery, Ion Chiricuta Oncology Institute, Cluj Napoca, Romania *These authors contributed equally to this communicationWe have read with great interest the paper by Tang and Chen1 published in the most recent issue of the International Journal of Nanomedicine, in which the authors describe the protocol by which scientists constructed the ideal BRAF (V600E)-modeled structure through homology modeling and introduced the method of structure-based docking or virtual screening from a large compound database. They concluded that BRAF (V600E) has a quite prominent structural or conformational variation when compared to the wild-type BRAF protein by matrix of root mean square fluctuation and principal component analysis. On the basis of structure-based virtual screening, ligand-based quantitative structure activity relationship models, and molecular dynamics simulation, we recommend aknadicine and 16beta-hydroxy-19s-vindolinine N-oxide as potent compounds for developing novel inhibitors in the future. Read the original article 
format article
author Zaharie F
Cojocneanu-Petric R
Muresan M
Frinc I
Dima D
Petrushev B
Tanase A
Berce C
Chitic M
Berindan-Neagoe I
Pileczki V
Irimie A
Tomuleasa C
author_facet Zaharie F
Cojocneanu-Petric R
Muresan M
Frinc I
Dima D
Petrushev B
Tanase A
Berce C
Chitic M
Berindan-Neagoe I
Pileczki V
Irimie A
Tomuleasa C
author_sort Zaharie F
title Small molecules against B-RAF (BRAF) Val600Glu (V600E) single mutation
title_short Small molecules against B-RAF (BRAF) Val600Glu (V600E) single mutation
title_full Small molecules against B-RAF (BRAF) Val600Glu (V600E) single mutation
title_fullStr Small molecules against B-RAF (BRAF) Val600Glu (V600E) single mutation
title_full_unstemmed Small molecules against B-RAF (BRAF) Val600Glu (V600E) single mutation
title_sort small molecules against b-raf (braf) val600glu (v600e) single mutation
publisher Dove Medical Press
publishDate 2015
url https://doaj.org/article/b540d2abbc8047b29da8f1d0cee14b02
work_keys_str_mv AT zaharief smallmoleculesagainstbrafbrafval600gluv600esinglemutation
AT cojocneanupetricr smallmoleculesagainstbrafbrafval600gluv600esinglemutation
AT muresanm smallmoleculesagainstbrafbrafval600gluv600esinglemutation
AT frinci smallmoleculesagainstbrafbrafval600gluv600esinglemutation
AT dimad smallmoleculesagainstbrafbrafval600gluv600esinglemutation
AT petrushevb smallmoleculesagainstbrafbrafval600gluv600esinglemutation
AT tanasea smallmoleculesagainstbrafbrafval600gluv600esinglemutation
AT bercec smallmoleculesagainstbrafbrafval600gluv600esinglemutation
AT chiticm smallmoleculesagainstbrafbrafval600gluv600esinglemutation
AT berindanneagoei smallmoleculesagainstbrafbrafval600gluv600esinglemutation
AT pileczkiv smallmoleculesagainstbrafbrafval600gluv600esinglemutation
AT irimiea smallmoleculesagainstbrafbrafval600gluv600esinglemutation
AT tomuleasac smallmoleculesagainstbrafbrafval600gluv600esinglemutation
_version_ 1718400789073887232