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Journal Abstract Search

517 related items for PubMed ID: 23863115

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  • 3. Combined 3D-QSAR, molecular docking, and molecular dynamics study of tacrine derivatives as potential acetylcholinesterase (AChE) inhibitors of Alzheimer's disease.
    Zhou A, Hu J, Wang L, Zhong G, Pan J, Wu Z, Hui A.
    J Mol Model; 2015 Oct; 21(10):277. PubMed ID: 26438408
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  • 4. Identification of molecular descriptors for design of novel Isoalloxazine derivatives as potential Acetylcholinesterase inhibitors against Alzheimer's disease.
    Gurung AB, Aguan K, Mitra S, Bhattacharjee A.
    J Biomol Struct Dyn; 2017 Jun; 35(8):1729-1742. PubMed ID: 27410776
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  • 5. The 3D-QSAR study of 110 diverse, dual binding, acetylcholinesterase inhibitors based on alignment independent descriptors (GRIND-2). The effects of conformation on predictive power and interpretability of the models.
    Vitorović-Todorović MD, Cvijetić IN, Juranić IO, Drakulić BJ.
    J Mol Graph Model; 2012 Sep; 38():194-210. PubMed ID: 23073222
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  • 8. Combined QSAR, molecular docking and molecular dynamics study on new Acetylcholinesterase and Butyrylcholinesterase inhibitors.
    Daoud I, Melkemi N, Salah T, Ghalem S.
    Comput Biol Chem; 2018 Jun; 74():304-326. PubMed ID: 29747032
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  • 9. Design, synthesis, and evaluation of 7H-thiazolo-[3,2-b]-1,2,4-triazin-7-one derivatives as dual binding site acetylcholinesterase inhibitors.
    Liu S, Shang R, Shi L, Zhou R, He J, Wan DC.
    Chem Biol Drug Des; 2014 Aug; 84(2):169-74. PubMed ID: 24890706
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  • 10. In silico approaches to evaluate the molecular properties of organophosphate compounds to inhibit acetylcholinesterase activity in housefly.
    Marimuthu P, Lee YJ, Kim B, Seo SS.
    J Biomol Struct Dyn; 2019 Feb; 37(2):307-320. PubMed ID: 29322868
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  • 11. Pharmacophore mapping-based virtual screening followed by molecular docking studies in search of potential acetylcholinesterase inhibitors as anti-Alzheimer's agents.
    Ambure P, Kar S, Roy K.
    Biosystems; 2014 Feb; 116():10-20. PubMed ID: 24325852
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  • 12. 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies.
    Di Pietro O, Viayna E, Vicente-García E, Bartolini M, Ramón R, Juárez-Jiménez J, Clos MV, Pérez B, Andrisano V, Luque FJ, Lavilla R, Muñoz-Torrero D.
    Eur J Med Chem; 2014 Feb 12; 73():141-52. PubMed ID: 24389509
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  • 13. Molecular docking and receptor-specific 3D-QSAR studies of acetylcholinesterase inhibitors.
    Deb PK, Sharma A, Piplani P, Akkinepally RR.
    Mol Divers; 2012 Nov 12; 16(4):803-23. PubMed ID: 22996404
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  • 14. Atomic insight into designed carbamate-based derivatives as acetylcholine esterase (AChE) inhibitors: a computational study by multiple molecular docking and molecular dynamics simulation.
    Mohammadi T, Ghayeb Y.
    J Biomol Struct Dyn; 2018 Jan 12; 36(1):126-138. PubMed ID: 27924680
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  • 15. 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 Jan 12; 33(5):978-90. PubMed ID: 24805972
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  • 16. Structural modifications of 4-aryl-4-oxo-2-aminylbutanamides and their acetyl- and butyrylcholinesterase inhibitory activity. Investigation of AChE-ligand interactions by docking calculations and molecular dynamics simulations.
    Vitorović-Todorović MD, Koukoulitsa C, Juranić IO, Mandić LM, Drakulić BJ.
    Eur J Med Chem; 2014 Jun 23; 81():158-75. PubMed ID: 24836068
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  • 17. Exploring molecular structural requirement for AChE inhibition through multi-chemometric and dynamics simulation analyses.
    Hossain T, Saha A, Mukherjee A.
    J Biomol Struct Dyn; 2018 Apr 23; 36(5):1274-1285. PubMed ID: 28417668
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  • 18. Design, synthesis and evaluation of flavonoid derivatives as potent AChE inhibitors.
    Sheng R, Lin X, Zhang J, Chol KS, Huang W, Yang B, He Q, Hu Y.
    Bioorg Med Chem; 2009 Sep 15; 17(18):6692-8. PubMed ID: 19692250
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  • 19. 2D-SAR and 3D-QSAR analyses for acetylcholinesterase inhibitors.
    Niu B, Zhao M, Su Q, Zhang M, Lv W, Chen Q, Chen F, Chu D, Du D, Zhang Y.
    Mol Divers; 2017 May 15; 21(2):413-426. PubMed ID: 28275924
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  • 20. Study of the interaction of Huperzia saururus Lycopodium alkaloids with the acetylcholinesterase enzyme.
    Puiatti M, Borioni JL, Vallejo MG, Cabrera JL, Agnese AM, Ortega MG, Pierini AB.
    J Mol Graph Model; 2013 Jul 15; 44():136-44. PubMed ID: 23827878
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