Screening fructosamine-3-kinase (FN3K) inhibitors, a deglycating enzyme of oncogenic Nrf2: Human FN3K homology modelling, docking and molecular dynamics simulations

Bibliographic Details
Main Authors: Narasimha M. Beeraka, Jin Zhang, Subhankar Mandal, Hemanth Vikram P. R., Junqi Liu, Namitha B. M., Di Zhao, Prashanth Vishwanath, Gurupadayya B. M., Ruitai Fan
Format: Article
Language:English
Published: Public Library of Science (PLoS) 2023-01-01
Series:PLoS ONE
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10619859/?tool=EBI
_version_ 1797635949000130560
author Narasimha M. Beeraka
Jin Zhang
Subhankar Mandal
Hemanth Vikram P. R.
Junqi Liu
Namitha B. M.
Di Zhao
Prashanth Vishwanath
Gurupadayya B. M.
Ruitai Fan
author_facet Narasimha M. Beeraka
Jin Zhang
Subhankar Mandal
Hemanth Vikram P. R.
Junqi Liu
Namitha B. M.
Di Zhao
Prashanth Vishwanath
Gurupadayya B. M.
Ruitai Fan
author_sort Narasimha M. Beeraka
collection DOAJ
first_indexed 2024-03-11T12:28:18Z
format Article
id doaj.art-0fd2dfe750c34557a6e687f8d63afbab
institution Directory Open Access Journal
issn 1932-6203
language English
last_indexed 2024-03-11T12:28:18Z
publishDate 2023-01-01
publisher Public Library of Science (PLoS)
record_format Article
series PLoS ONE
spelling doaj.art-0fd2dfe750c34557a6e687f8d63afbab2023-11-06T05:32:34ZengPublic Library of Science (PLoS)PLoS ONE1932-62032023-01-011811Screening fructosamine-3-kinase (FN3K) inhibitors, a deglycating enzyme of oncogenic Nrf2: Human FN3K homology modelling, docking and molecular dynamics simulationsNarasimha M. BeerakaJin ZhangSubhankar MandalHemanth Vikram P. R.Junqi LiuNamitha B. M.Di ZhaoPrashanth VishwanathGurupadayya B. M.Ruitai Fanhttps://www.ncbi.nlm.nih.gov/pmc/articles/PMC10619859/?tool=EBI
spellingShingle Narasimha M. Beeraka
Jin Zhang
Subhankar Mandal
Hemanth Vikram P. R.
Junqi Liu
Namitha B. M.
Di Zhao
Prashanth Vishwanath
Gurupadayya B. M.
Ruitai Fan
Screening fructosamine-3-kinase (FN3K) inhibitors, a deglycating enzyme of oncogenic Nrf2: Human FN3K homology modelling, docking and molecular dynamics simulations
PLoS ONE
title Screening fructosamine-3-kinase (FN3K) inhibitors, a deglycating enzyme of oncogenic Nrf2: Human FN3K homology modelling, docking and molecular dynamics simulations
title_full Screening fructosamine-3-kinase (FN3K) inhibitors, a deglycating enzyme of oncogenic Nrf2: Human FN3K homology modelling, docking and molecular dynamics simulations
title_fullStr Screening fructosamine-3-kinase (FN3K) inhibitors, a deglycating enzyme of oncogenic Nrf2: Human FN3K homology modelling, docking and molecular dynamics simulations
title_full_unstemmed Screening fructosamine-3-kinase (FN3K) inhibitors, a deglycating enzyme of oncogenic Nrf2: Human FN3K homology modelling, docking and molecular dynamics simulations
title_short Screening fructosamine-3-kinase (FN3K) inhibitors, a deglycating enzyme of oncogenic Nrf2: Human FN3K homology modelling, docking and molecular dynamics simulations
title_sort screening fructosamine 3 kinase fn3k inhibitors a deglycating enzyme of oncogenic nrf2 human fn3k homology modelling docking and molecular dynamics simulations
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10619859/?tool=EBI
work_keys_str_mv AT narasimhambeeraka screeningfructosamine3kinasefn3kinhibitorsadeglycatingenzymeofoncogenicnrf2humanfn3khomologymodellingdockingandmoleculardynamicssimulations
AT jinzhang screeningfructosamine3kinasefn3kinhibitorsadeglycatingenzymeofoncogenicnrf2humanfn3khomologymodellingdockingandmoleculardynamicssimulations
AT subhankarmandal screeningfructosamine3kinasefn3kinhibitorsadeglycatingenzymeofoncogenicnrf2humanfn3khomologymodellingdockingandmoleculardynamicssimulations
AT hemanthvikrampr screeningfructosamine3kinasefn3kinhibitorsadeglycatingenzymeofoncogenicnrf2humanfn3khomologymodellingdockingandmoleculardynamicssimulations
AT junqiliu screeningfructosamine3kinasefn3kinhibitorsadeglycatingenzymeofoncogenicnrf2humanfn3khomologymodellingdockingandmoleculardynamicssimulations
AT namithabm screeningfructosamine3kinasefn3kinhibitorsadeglycatingenzymeofoncogenicnrf2humanfn3khomologymodellingdockingandmoleculardynamicssimulations
AT dizhao screeningfructosamine3kinasefn3kinhibitorsadeglycatingenzymeofoncogenicnrf2humanfn3khomologymodellingdockingandmoleculardynamicssimulations
AT prashanthvishwanath screeningfructosamine3kinasefn3kinhibitorsadeglycatingenzymeofoncogenicnrf2humanfn3khomologymodellingdockingandmoleculardynamicssimulations
AT gurupadayyabm screeningfructosamine3kinasefn3kinhibitorsadeglycatingenzymeofoncogenicnrf2humanfn3khomologymodellingdockingandmoleculardynamicssimulations
AT ruitaifan screeningfructosamine3kinasefn3kinhibitorsadeglycatingenzymeofoncogenicnrf2humanfn3khomologymodellingdockingandmoleculardynamicssimulations