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Gene & Protein in Disease                                                   Inhibition of SOD1 in diseases



               doi: 10.1093/nar/gkaa1074                          Struct Dyn. 2023;41(10):4398-4404.
            15.  Backman TW, Cao Y, Girke T. ChemMine tools: An online      doi: 10.1080/07391102.2022.2067240
               service for analyzing and clustering small molecules. Nucleic   26.  Schrödinger.  What do All the Prime MM-GBSA Energy
               Acids Res. 2011;39:W486-W491.
                                                                  Properties Mean? 2019. Available from: https://www.
               doi: 10.1093/nar/gkr320                            schrodinger.com/kb/1875 [Last accessed on 2023 Nov 20].
            16.  Daina A, Michielin O, Zoete V. SwissADME: A  free web   27.  Richarme G, Mihoub M, Dairou J, Bui LC, Leger T,
               tool to evaluate pharmacokinetics, drug-likeness and   Lamouri   A. Parkinsonism-associated protein DJ-1/Park7
               medicinal chemistry friendliness of small molecules.  Sci   is a major protein deglycase that repairs methylglyoxal- and
               Rep. 2017;7:42717.                                 glyoxal-glycated cysteine, arginine, and lysine residues.
               doi: 10.1038/srep42717                             J Biol Chem. 2015;290(3):1885-1897.
            17.  Fatoki T, Chukwuejim S, Ibraheem O,  et al. Harmine      doi: 10.1074/jbc.M114.597815
               and 7,8-dihydroxyflavone synergistically suitable for   28.  Perini GF, Ribeiro GN, Pinto Neto JV, Campos LT,
               amyotrophic lateral sclerosis management: An  in silico   Hamerschlak N.  BCL-2  as therapeutic  target for
               study. Res Results Pharmacol. 2022;8(3):49-61.     hematological malignancies. J Hematol Oncol. 2018;11(1):65.
               doi: 10.3897/rrpharmacology.8.83332                doi: 10.1186/s13045-018-0608-2
            18.  Morris GM, Huey R, Lindstrom W,  et al. AutoDock4   29.  Sugiyama T, Murao N, Kadowaki H,  et al. ERAD
               and AutoDockTools4: Automated docking with selective   components Derlin-1 and  Derlin-2  are essential  for
               receptor flexibility. J Comput Chem. 2009;30(16):2785-2791.  postnatal brain development and motor function. iScience.
               doi: 10.1002/jcc.21256                             2021;24(7):102758.
            19.  Trott O, Olson AJ. AutoDock Vina: Improving the speed      doi: 10.1016/j.isci.2021.102758
               and accuracy of docking with a new scoring function,   30.  Olivo E, La Chimia M, Ceramella J, et al. Moving beyond the
               efficient optimization, and multithreading. J Comput Chem.   Tip of the Iceberg: DJ-1 implications in cancer metabolism.
               2010;31(2):455-461.                                Cells. 2022;11(9):1432.
               doi: 10.1002/jcc.21334                             doi: 10.3390/cells11091432
            20.  Eberhardt J, Santos-Martins D, Tillack AF, Forli S. AutoDock   31.  Fatoki TH, Chukwuejim S, Udenigwe CC, Aluko RE. In silico
               vina 1.2.0: New docking methods, expanded force field, and   exploration of metabolically active peptides as potential
               python bindings. J Chem Inf Model. 2021;61(8):3891-3898.  therapeutic agents against amyotrophic lateral sclerosis. Int J
               doi: 10.1021/acs.jcim.1c00203                      Mol Sci. 2023;24(6):5828.
                                                                  doi: 10.3390/ijms24065828
            21.  Tao A, Huang Y, Shinohara Y, Caylor ML, Pashikanti S,
               Xu D. ezCADD: A rapid 2D/3D visualization-enabled web   32.  Blokhuis  AM,  Groen  EJ,  Koppers  M,  Van  den  Berg  LH,
               modeling environment for democratizing computer-aided   Pasterkamp RJ. Protein aggregation in amyotrophic lateral
               drug design. J Chem Inf Model. 2019;59(1):18-24.   sclerosis. Acta Neuropathol. 2013;125(6):777-794.
               doi: 10.1021/acs.jcim.8b00633                      doi: 10.1007/s00401-013-1125-6
            22.  Schrödinger. Schrödinger Release 2018-3. Desmond Molecular   33.  Lu H, Zhou Q, He J, et al. Recent advances in the development
               Dynamics System. New York: D.E. Shaw Research, Maestro   of protein-protein interactions modulators: Mechanisms
               Desmond Interoperability Tools, Schrödinger; 2018.  and clinical trials. Signal Transd Targeted Ther. 2020;5:213.

            23.  Ali I, Iqbal MN, Ibrahim M, Haq IU, Alonazi WB, Siddiqi AR.      doi: 10.1038/s41392-020-00315-3
               Computational exploration of novel ROCK2 inhibitors for   34.  Kuzmanov U, Emili A. Protein-protein interaction networks:
               cardiovascular  disease  management;  insights  from  high-  Probing disease mechanisms using model systems. Genome
               throughput virtual screening, molecular docking, DFT and   Med. 2013;5(4):37.
               MD simulation. PLoS One. 2023;18(11):e0294511.
                                                                  doi: 10.1186/gm441
               doi: 10.1371/journal.pone.0294511
                                                               35.  National  Center  for  Biotechnology  Information.  PubChem
            24.  Fatoki TH, Faleye BC, Nwagwe OR, et al. Friedelin could   Patent Summary for US-2015337018-A1. Available from:
               moderately modulate human carbonic anhydrases: An   https://pubchem.ncbi.nlm.nih.gov/patent/US-2015337018-A1
               in silico study. Bioint Res Appl Chem. 2024;14(2):49.
                                                                  [Last accessed on 2023 Dec 04].
               doi: 10.33263/BRIAC142.049
                                                               36.  Juarez JC, Betancourt O Jr., Pirie-Shepherd SR, et al. Copper
            25.  Fatoki TH. Effect of pH on structural dynamics of HMG-  binding by tetrathiomolybdate attenuates angiogenesis and
               CoA reductase and binding affinity to b-sitosterol. J Biomol   tumor cell proliferation through the inhibition of superoxide


            Volume 3 Issue 2 (2024)                         11                              doi: 10.36922/gpd.3042
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