Page 231 - EJMO-9-3
P. 231

Eurasian Journal of
            Medicine and Oncology                                              FN3K–Nrf2 axis inhibition in breast cancer



            15.  Cheng T, Li Q, Zhou Z, Wang Y, Bryant SH. Structure-based   27.  University  of  California,  Los  Angeles  (UCLA).
               virtual screening for drug discovery: A  problem-centric   SAVES  -  Structure Analysis and Verification Server.
               review. AAPS J. 2012;14(1):133-141.                Available from: https://saves.mbi.ucla.edu [Last accessed on
               doi: 10.1208/s12248-012-9322-0                     2025 Mar 15].
            16.  Hevener KE, Pesavento R, Ren J, Lee H, Ratia K,   28.  Biasini M, Bienert S, Waterhouse A, et al. SWISS-MODEL:
               Johnson  ME. Hit-to-lead: Hit validation and assessment.   Modelling protein tertiary and quaternary structure using
               Methods Enzymol. 2018;610:265-309.                 evolutionary information. Nucleic Acids Res. 2014;42(Web
                                                                  Server issue):W252-W258.
               doi: 10.1016/bs.mie.2018.09.022
                                                                  doi: 10.1093/nar/gku340
            17.  Wang XJ, Sun Z, Villeneuve NF,  et al. Nrf2 enhances
               resistance of cancer cells to chemotherapeutic drugs, the   29.  Benkert P,  Tosatto  SC,  Schomburg  D.  QMEAN:
               dark side of Nrf2. Carcinogenesis. 2008;29(6):1235-1243.  A  comprehensive scoring function for model quality
                                                                  assessment. Proteins. 2008;71(1):261-277.
               doi: 10.1093/carcin/bgn095
                                                                  doi: 10.1002/prot.21715
            18.  Schrödinger LLC.  Maestro: Schrödinger Release 2024-1.
               New  York,  NY:  Schrödinger,  LLC;  2024.  Available  from:   30.  Benkert P, Biasini M, Schwede T. Toward the estimation of
               https://www.schrodinger.com/maestro [Last accessed on   the absolute quality of individual protein structure models.
               2025 Feb 21].                                      Bioinformatics. 2011;27(3):343-350.
            19.  Friesner RA, Murphy RB, Repasky MP, et al. Extra precision      doi: 10.1093/bioinformatics/btq662
               glide: Docking and scoring incorporating a model of   31.  Schrödinger   LLC.   Protein  Preparation  Workflow.
               hydrophobic enclosure for protein-ligand complexes. J Med   Schrödinger. Available from: https://www.schrodinger.
               Chem. 2006;49(21):6177-6196.                       com/life-science/learn/white-papers/protein-preparation-
               doi: 10.1021/jm051256o                             workflow [Last accessed on 2025 Mar 15].
            20.  Liu T, Lu D, Zhang H,  et al. Applying high-performance   32.  National Center for Biotechnology Information (NCBI).
               computing in drug discovery and molecular simulation.   PubChem.  Available  from:  https://pubchem.ncbi.nlm.nih.
               Natl Sci Rev. 2016;3(1):49-63.                     gov [Last accessed on 2025 Mar 15].
               doi: 10.1093/nsr/nww003                         33.  Knox C, Wilson M, Klinger CM, et al. DrugBank 6.0: The
                                                                  drugbank knowledgebase for 2024.  Nucleic Acids Res.
            21.  UniProt Consortium. UniProt: A worldwide hub of protein
               knowledge. Nucleic Acids Res. 2019;47(D1):D506-D515.  2024;52(D1):D1265-D1275.
                                                                  doi: 10.1093/nar/gkad976
               doi: 10.1093/nar/gky1049
                                                               34.  Sahayarayan JJ, Rajan KS, Vidhyavathi R,  et  al.  In-silico
            22.  UniProt.  FN3K Fructosamine-3-Kinase Homo Sapiens
               (Human). UniProtKB; 2025. Available from: https://www.  protein-ligand docking studies against the estrogen protein
               uniprot.org/uniprotkb/q9H479/entry [Last accessed on   of breast cancer using pharmacophore based virtual
               2025 Mar 15].                                      screening approaches. Saudi J Biol Sci. 2021;28(1):400-407.
            23.  Sievers F, Higgins DG. Clustal Omega for making accurate      doi: 10.1016/j.sjbs.2020.10.023
               alignments of many protein sequences.  Protein Sci.   35.  Ge Y, Pande V, Seierstad MJ, Damm-Ganamet KL. Exploring
               2018;27(1):135-145.                                the application of sitemap and site finder for focused cryptic
               doi: 10.1002/pro.3290                              pocket identification.  J  Phys Chem B. 2024;128(26):6233-
                                                                  6245.
            24.  Schwede T, Kopp J, Guex N, Peitsch MC. SWISS-MODEL:
               An automated protein homology-modeling server. Nucleic      doi: 10.1021/acs.jpcb.4c00664
               Acids Res. 2003;31(13):3381-3385.               36.  Elekofehinti OO, Iwaloye O, Josiah SS, Lawal AO,
               doi: 10.1093/nar/gkg520                            Akinjiyan  MO,  Ariyo EO.  Molecular docking  studies,
                                                                  molecular dynamics and ADME/tox reveal therapeutic
            25.  Ko J, Park H, Heo L, Seok C. GalaxyWEB server for protein   potentials of STOCK1N-69160 against papain-like protease
               structure prediction and refinement.  Nucleic Acids Res.   of SARS-CoV-2. Mol Divers. 2021;25:1761-1773.
               2012;40(Web Server issue):W294-W297.
                                                                  doi: 10.1007/s11030-020-10151-w
               doi: 10.1093/nar/gks493
                                                               37.  Park MS, Dessal AL, Smrcka AV, Stern HA. Evaluating
            26.  Kleywegt  GJ,  Jones  TA.  Phi/Psi-chology:  Ramachandran   docking methods for prediction of binding affinities of small
               revisited. Structure. 1996;4(12):1395-1400.
                                                                  molecules to the G protein betagamma subunits. J Chem Inf
               doi: 10.1016/S0969-2126(96)00147-5                 Model. 2010;49(2):437-443.



            Volume 9 Issue 3 (2025)                        223                         doi: 10.36922/EJMO025150114
   226   227   228   229   230   231   232   233   234   235   236