In silico antibacterial, anticancer, antioxidant, antidiabetic activity predictions of the dual organic peroxide 2,5-dimethyl-2,5-di(tert-butyl peroxyl)hexane

被引:0
作者
Abd El-Wahab, M. [1 ]
El-Desouky, M. G. [2 ]
机构
[1] Suez Canal Univ, Fac Sci, Ismailia, Egypt
[2] Port Said Univ, Fac Sci, Port Fuad, Egypt
关键词
Organic peroxide; anticancer; antioxidant; molecular docking; MOLECULAR DOCKING; SARS-COV-2; COMPLEXES;
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
In this search organic peroxide has been studied for its potential biological activities in various fields, including medicine and biotechnology. Molecular docking studies have been conducted to predict the binding between organic peroxide and certain biological targets, such as the breast cancer receptor 3hb5-oxidoreductase and the prostate cancer mutant 2q7k-Hormone. The docking results indicate potential interactions between peroxide and these targets. In addition to its potential cytotoxic activity, organic peroxide has been investigated for its antidiabetic activity. The docking results suggest that peroxide binds to the active site of enzymes involved in diabetes, such as beta-amylase, pancreatic lipase, and beta-glucosidase, with low binding energies. This indicates a potential role for peroxide in the treatment of diabetes. Furthermore, the interaction between peroxide and the antioxidant protein IHD2 (2HCK) has been explored. These computational studies suggest a possible pharmacological role for peroxide in the treatment of Helicobacter pylori (H. pylori) infection. The docking energy between peroxide and Helicobacter pylori adhesin HopQ type I bound to the N-terminal domain of human CEACAM1 indicates that peroxide could be a potential target to inhibit H. pylori infection. It's important to note that these findings are based on computational methods and molecular docking studies. Further research, including in vitro and in vivo experiments, would be necessary to validate these findings and fully understand the potential benefits and limitations of peroxide in these applications.
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页码:177 / 190
页数:14
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共 35 条
  • [1] Study the effect of antioxidants on biological activity and on homopolypropylene; mechanical and physical properties
    Abd El-Wahab, M.
    El-Desouky, M. G.
    [J]. JOURNAL OF THE INDIAN CHEMICAL SOCIETY, 2022, 99 (12)
  • [2] Recent advances in 4-hydroxycoumarin chemistry. Part 1: Synthesis and reactions
    Abdou, Moaz M.
    El-Saeed, Rasha A.
    Bondock, Samir
    [J]. ARABIAN JOURNAL OF CHEMISTRY, 2019, 12 (01) : 88 - 121
  • [3] Agarwal S., 2016, JSM chem, V4, P1024, DOI DOI 10.47739/2334-1831/1024
  • [4] Al-Hazmi G.A.A., 2022, Efficiency of Fe3O4@ZIF-8 for the Removal of Doxorubicin from Aqueous Solutions: Equilibrium, Kinetics and Thermodynamic Studies
  • [5] Adsorption of industrial dye onto a zirconium metal-organic framework: synthesis, characterization, kinetics, thermodynamics, and DFT calculations
    Al-Hazmi, Gamil A. A.
    El-Zahhar, Adel A.
    El-Desouky, Mohamed G.
    El-Bindary, Mohamed A.
    El-Bindary, Ashraf A.
    [J]. JOURNAL OF COORDINATION CHEMISTRY, 2022, 75 (9-10) : 1203 - 1229
  • [6] Effective Removal of Methylene Blue From Aqueous Solution Using Metal-Organic Framework; Modelling Analysis, Statistical Physics Treatment and DFT Calculations
    Al-Wasidi, Asma S.
    AlZahrani, Ibtisam I. S.
    Naglah, Ahmed M.
    El-Desouky, Mohamed G.
    Khalil, Muhammad A.
    El-Bindary, Ashraf A.
    El-Bindary, Mohamed A.
    [J]. CHEMISTRYSELECT, 2021, 6 (41): : 11431 - 11447
  • [7] Adsorption and effective removal of organophosphorus pesticides from aqueous solution via novel metal-organic framework: Adsorption isotherms, kinetics, and optimization via Box-Behnken design
    Alrefaee, Salhah H.
    Aljohani, Meshari
    Alkhamis, Kholood
    Shaaban, Fathy
    El-Desouky, Mohamed G.
    El-Bindary, Ashraf A.
    El-Bindary, Mohamed A.
    [J]. JOURNAL OF MOLECULAR LIQUIDS, 2023, 384
  • [8] Adsorption of Azorubine E122 dye via Na-mordenite with tryptophan composite: batch adsorption, Box-Behnken design optimisation and antibacterial activity
    Alsharief, Hatun H.
    Alatawi, Nada M.
    Al-bonayan, Ameena M.
    Alrefaee, Salhah H.
    Saad, Fawaz A.
    El-Desouky, M. G.
    El-Bindary, A. A.
    [J]. ENVIRONMENTAL TECHNOLOGY, 2024, 45 (17) : 3496 - 3515
  • [9] Pneumonia of unknown aetiology in Wuhan, China: potential for international spread via commercial air travel
    Bogoch, Isaac I.
    Watts, Alexander
    Thomas-Bachli, Andrea
    Huber, Carmen
    Kraemer, Moritz U. G.
    Khan, Kamran
    [J]. JOURNAL OF TRAVEL MEDICINE, 2020, 27 (02)
  • [10] Molecular Docking Algorithms
    Dias, Raquel
    de Azevedo, Walter Filgueira, Jr.
    [J]. CURRENT DRUG TARGETS, 2008, 9 (12) : 1040 - 1047