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Journal Abstract Search

360 related items for PubMed ID: 25218671

  • 1. Quantum chemical and steered molecular dynamics studies for one pot solution to reactivate aged acetylcholinesterase with alkylator oxime.
    Chandar NB, Lo R, Ganguly B.
    Chem Biol Interact; 2014 Nov 05; 223():58-68. PubMed ID: 25218671
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  • 2. Can hydroxylamine be a more potent nucleophile for the reactivation of tabun-inhibited AChE than prototype oxime drugs? An answer derived from quantum chemical and steered molecular dynamics studies.
    Lo R, Ganguly B.
    Mol Biosyst; 2014 Jul 29; 10(9):2368-83. PubMed ID: 24964273
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  • 3. Is it possible to reverse aged acetylcholinesterase inhibited by organophosphorus compounds? Insight from the theoretical study.
    An Y, Zhu Y, Yao Y, Liu J.
    Phys Chem Chem Phys; 2016 Apr 14; 18(14):9838-46. PubMed ID: 27000635
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  • 4. Revealing the importance of linkers in K-series oxime reactivators for tabun-inhibited AChE using quantum chemical, docking and SMD studies.
    Ghosh S, Chandar NB, Jana K, Ganguly B.
    J Comput Aided Mol Des; 2017 Aug 14; 31(8):729-742. PubMed ID: 28646405
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  • 6. Enzyme-kinetic investigation of different sarin analogues reacting with human acetylcholinesterase and butyrylcholinesterase.
    Bartling A, Worek F, Szinicz L, Thiermann H.
    Toxicology; 2007 Apr 20; 233(1-3):166-72. PubMed ID: 16904809
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  • 7. The reactivation of tabun-inhibited mutant AChE with Ortho-7: steered molecular dynamics and quantum chemical studies.
    Lo R, Chandar NB, Ghosh S, Ganguly B.
    Mol Biosyst; 2016 Apr 20; 12(4):1224-31. PubMed ID: 26879641
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  • 10. Influence of gauche effect on uncharged oxime reactivators for the reactivation of tabun-inhibited AChE: quantum chemical and steered molecular dynamics studies.
    Ghosh S, Jana K, Ganguly B.
    J Comput Aided Mol Des; 2018 Jul 20; 32(7):793-807. PubMed ID: 29980922
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  • 11. New Heterostilbene and Triazole Oximes as Potential CNS-Active and Cholinesterase-Targeted Therapeutics.
    Mlakić M, Čadež T, Šinko G, Škorić I, Kovarik Z.
    Biomolecules; 2024 Jun 11; 14(6):. PubMed ID: 38927082
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  • 15. The reactivation kinetic analysis, molecular docking, and dynamics of oximes against three V-type nerve agents inhibited four human cholinesterases.
    Li K, Liu Y, Liu Y, Li Q, Guo L, Xie J.
    Chem Biol Interact; 2024 Jun 01; 396():111061. PubMed ID: 38763347
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  • 17. Testing of novel brain-penetrating oxime reactivators of acetylcholinesterase inhibited by nerve agent surrogates.
    Chambers JE, Chambers HW, Meek EC, Pringle RB.
    Chem Biol Interact; 2013 Mar 25; 203(1):135-8. PubMed ID: 23123249
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  • 20. Kinetic prerequisites of oximes as effective reactivators of organophosphate-inhibited acetylcholinesterase: a theoretical approach.
    Worek F, Aurbek N, Wille T, Eyer P, Thiermann H.
    J Enzyme Inhib Med Chem; 2011 Jun 25; 26(3):303-8. PubMed ID: 20807085
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