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Journal Abstract Search

207 related items for PubMed ID: 29980922

  • 1. 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; 32(7):793-807. PubMed ID: 29980922
    [Abstract] [Full Text] [Related]

  • 2. 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
    [Abstract] [Full Text] [Related]

  • 3. 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; 12(4):1224-31. PubMed ID: 26879641
    [Abstract] [Full Text] [Related]

  • 4. 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
    [Abstract] [Full Text] [Related]

  • 5. Centrally acting oximes in reactivation of tabun-phosphoramidated AChE.
    Kovarik Z, Maček N, Sit RK, Radić Z, Fokin VV, Barry Sharpless K, Taylor P.
    Chem Biol Interact; 2013 Mar 25; 203(1):77-80. PubMed ID: 22960624
    [Abstract] [Full Text] [Related]

  • 6. 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
    [Abstract] [Full Text] [Related]

  • 7. Mechanism of interaction of novel uncharged, centrally active reactivators with OP-hAChE conjugates.
    Radić Z, Sit RK, Garcia E, Zhang L, Berend S, Kovarik Z, Amitai G, Fokin VV, Barry Sharpless K, Taylor P.
    Chem Biol Interact; 2013 Mar 25; 203(1):67-71. PubMed ID: 22975155
    [Abstract] [Full Text] [Related]

  • 8. Rational design, synthesis, and evaluation of uncharged, "smart" bis-oxime antidotes of organophosphate-inhibited human acetylcholinesterase.
    Gorecki L, Gerlits O, Kong X, Cheng X, Blumenthal DK, Taylor P, Ballatore C, Kovalevsky A, Radić Z.
    J Biol Chem; 2020 Mar 27; 295(13):4079-4092. PubMed ID: 32019865
    [Abstract] [Full Text] [Related]

  • 9. Counteracting tabun inhibition by reactivation by pyridinium aldoximes that interact with active center gorge mutants of acetylcholinesterase.
    Kovarik Z, Maček Hrvat N, Kalisiak J, Katalinić M, Sit RK, Zorbaz T, Radić Z, Fokin VV, Sharpless KB, Taylor P.
    Toxicol Appl Pharmacol; 2019 Jun 01; 372():40-46. PubMed ID: 30978400
    [Abstract] [Full Text] [Related]

  • 10. Oxime-dipeptides as anticholinesterase, reactivator of phosphonylated-serine of AChE catalytic triad: probing the mechanistic insight by MM-GBSA, dynamics simulations and DFT analysis.
    Chadha N, Tiwari AK, Kumar V, Lal S, Milton MD, Mishra AK.
    J Biomol Struct Dyn; 2015 Jun 01; 33(5):978-90. PubMed ID: 24805972
    [Abstract] [Full Text] [Related]

  • 11. In vitro reactivation of acetylcholinesterase using the oxime K027.
    Kuca K, Kassa J.
    Vet Hum Toxicol; 2004 Feb 01; 46(1):15-8. PubMed ID: 14748409
    [Abstract] [Full Text] [Related]

  • 12. Refinement of structural leads for centrally acting oxime reactivators of phosphylated cholinesterases.
    Radić Z, Sit RK, Kovarik Z, Berend S, Garcia E, Zhang L, Amitai G, Green C, Radić B, Fokin VV, Sharpless KB, Taylor P.
    J Biol Chem; 2012 Apr 06; 287(15):11798-809. PubMed ID: 22343626
    [Abstract] [Full Text] [Related]

  • 13. 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 06; 36(6):1430-1438. PubMed ID: 28446076
    [Abstract] [Full Text] [Related]

  • 14. In silico studies on the role of mutant Y337A to reactivate tabun inhibited mAChE with K048.
    Chandar NB, Ghosh S, Lo R, Banjo S, Ganguly B.
    Chem Biol Interact; 2015 Dec 05; 242():299-306. PubMed ID: 26494532
    [Abstract] [Full Text] [Related]

  • 15. 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
    [Abstract] [Full Text] [Related]

  • 16. 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
    [Abstract] [Full Text] [Related]

  • 17. Molecular modeling and in vitro reactivation study between the oxime BI-6 and acetylcholinesterase inhibited by different nerve agents.
    Giacoppo JO, C C França T, Kuča K, da Cunha EF, Abagyan R, Mancini DT, Ramalho TC.
    J Biomol Struct Dyn; 2015 Sep 01; 33(9):2048-58. PubMed ID: 25407587
    [Abstract] [Full Text] [Related]

  • 18. Interactions between xylene-linked carbamoyl bis-pyridinium mono-oximes and organophosphates inhibited-AChE: a kinetic study.
    Sharma R, Gupta B, Acharya J, Kaushik MP, Ghosh KK.
    Toxicology; 2014 Feb 28; 316():1-8. PubMed ID: 24345352
    [Abstract] [Full Text] [Related]

  • 19. Evaluation of monoquaternary pyridinium oximes potency to reactivate tabun-inhibited human acetylcholinesterase.
    Odzak R, Calić M, Hrenar T, Primozic I, Kovarik Z.
    Toxicology; 2007 Apr 20; 233(1-3):85-96. PubMed ID: 16962227
    [Abstract] [Full Text] [Related]

  • 20. Mono-oxime bisquaternary acetylcholinesterase reactivators with prop-1,3-diyl linkage-Preparation, in vitro screening and molecular docking.
    Musilek K, Komloova M, Holas O, Horova A, Pohanka M, Gunn-Moore F, Dohnal V, Dolezal M, Kuca K.
    Bioorg Med Chem; 2011 Jan 15; 19(2):754-62. PubMed ID: 21215642
    [Abstract] [Full Text] [Related]

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