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152 related items for PubMed ID: 28446076

  • 1. Behavior of uncharged oximes compared to HI6 and 2-PAM in the human AChE-tabun conjugate: a molecular modeling approach.
    Rodrigues de Souza F, Rodrigues Garcia D, Cuya T, Kuca K, de Alencastro RB, França TCC.
    J Biomol Struct Dyn; 2018 May; 36(6):1430-1438. PubMed ID: 28446076
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  • 2. In vitro reactivation of acetylcholinesterase using the oxime K027.
    Kuca K, Kassa J.
    Vet Hum Toxicol; 2004 Feb; 46(1):15-8. PubMed ID: 14748409
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  • 3. 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; 31(8):729-742. PubMed ID: 28646405
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  • 4. Reactivation steps by 2-PAM of tabun-inhibited human acetylcholinesterase: reducing the computational cost in hybrid QM/MM methods.
    da Silva Gonçalves A, França TC, Caetano MS, Ramalho TC.
    J Biomol Struct Dyn; 2014 Aug; 32(2):301-7. PubMed ID: 23527625
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  • 8. Oxime-assisted reactivation of tabun-inhibited acetylcholinesterase analysed by active site mutations.
    Katalinić M, Šinko G, Maček Hrvat N, Zorbaz T, Bosak A, Kovarik Z.
    Toxicology; 2018 Aug 01; 406-407():104-113. PubMed ID: 29772260
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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 01; 32(7):793-807. PubMed ID: 29980922
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  • 14. Catalytic-site conformational equilibrium in nerve-agent adducts of acetylcholinesterase: possible implications for the HI-6 antidote substrate specificity.
    Artursson E, Andersson PO, Akfur C, Linusson A, Börjegren S, Ekström F.
    Biochem Pharmacol; 2013 May 01; 85(9):1389-97. PubMed ID: 23376121
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  • 15. In silico pharmacophore model for tabun-inhibited acetylcholinesterase reactivators: a study of their stereoelectronic properties.
    Bhattacharjee AK, Kuca K, Musilek K, Gordon RK.
    Chem Res Toxicol; 2010 Jan 01; 23(1):26-36. PubMed ID: 20028185
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  • 16. 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 01; 12(4):1224-31. PubMed ID: 26879641
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  • 17. Monooxime Bispyridinium Reactivators Bearing Xylene Linker Synthesis and In Vitro Evaluation on Model of Organophosphate-Inhibited Acetylcholinesterase.
    Musilek K, Hambalek J, Holas O, Dohnal V, Kuca K.
    Med Chem; 2016 Apr 01; 12(4):362-70. PubMed ID: 26427931
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  • 19. New efficient imidazolium aldoxime reactivators for nerve agent-inhibited acetylcholinesterase.
    Wei Z, Liu YQ, Zhou XB, Luo Y, Huang CQ, Wang YA, Zheng ZB, Li S.
    Bioorg Med Chem Lett; 2014 Dec 15; 24(24):5743-5748. PubMed ID: 25453812
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