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Items: 1 to 20 of 97

1.

Synthesis and crystal structure of new temephos analogues as cholinesterase inhibitor: molecular docking, QSAR study, and hydrogen bonding analysis of solid state.

Gholivand K, Ebrahimi Valmoozi AA, Bonsaii M.

J Agric Food Chem. 2014 Jun 25;62(25):5761-71. doi: 10.1021/jf5011726. Epub 2014 Jun 16.

PMID:
24893121
2.

Synthesis, biological evaluation, QSAR study and molecular docking of novel N-(4-amino carbonylpiperazinyl) (thio)phosphoramide derivatives as cholinesterase inhibitors.

Gholivand K, Ebrahimi Valmoozi AA, Bonsaii M.

Pestic Biochem Physiol. 2014 Jun;112:40-50. doi: 10.1016/j.pestbp.2014.05.001. Epub 2014 May 29.

PMID:
24974116
3.

Molecular docking and QSAR studies: noncovalent interaction between acephate analogous and the receptor site of human acetylcholinesterase.

Gholivand K, Valmoozi AA, Mahzouni HR, Ghadimi S, Rahimi R.

J Agric Food Chem. 2013 Jul 17;61(28):6776-85. doi: 10.1021/jf401092h. Epub 2013 Jul 8.

PMID:
23796225
4.

QSAR, docking, dynamic simulation and quantum mechanics studies to explore the recognition properties of cholinesterase binding sites.

Correa-Basurto J, Bello M, Rosales-Hernández MC, Hernández-Rodríguez M, Nicolás-Vázquez I, Rojo-Domínguez A, Trujillo-Ferrara JG, Miranda R, Flores-Sandoval CA.

Chem Biol Interact. 2014 Feb 25;209:1-13. doi: 10.1016/j.cbi.2013.12.001. Epub 2013 Dec 7.

PMID:
24321698
5.

Characterization of acetylcholinesterase from elm left beetle, Xanthogaleruca luteola and QSAR of temephos derivatives against its activity.

Sharifi M, Ghadamyari M, Gholivand K, Valmoozi AA, Sajedi RH.

Pestic Biochem Physiol. 2017 Mar;136:12-22. doi: 10.1016/j.pestbp.2016.08.010. Epub 2016 Sep 1.

PMID:
28187825
6.

A study on quantitative structure-activity relationship and molecular docking of metalloproteinase inhibitors based on L-tyrosine scaffold.

Abbasi M, Ramezani F, Elyasi M, Sadeghi-Aliabadi H, Amanlou M.

Daru. 2015 Apr 29;23:29. doi: 10.1186/s40199-015-0111-z.

7.

Molecular docking and receptor-specific 3D-QSAR studies of acetylcholinesterase inhibitors.

Deb PK, Sharma A, Piplani P, Akkinepally RR.

Mol Divers. 2012 Nov;16(4):803-23. doi: 10.1007/s11030-012-9394-x. Epub 2012 Sep 21.

PMID:
22996404
8.

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. doi: 10.1016/j.jmgm.2012.08.001. Epub 2012 Sep 1.

PMID:
23073222
9.

Acetylcholinesterase inhibitors: structure based design, synthesis, pharmacophore modeling, and virtual screening.

Valasani KR, Chaney MO, Day VW, Shidu Yan S.

J Chem Inf Model. 2013 Aug 26;53(8):2033-46. doi: 10.1021/ci400196z. Epub 2013 Aug 5.

PMID:
23777291
10.

Molecular dynamics simulation study and molecular docking descriptors in structure-based QSAR on acetylcholinesterase (AChE) inhibitors.

Gharaghani S, Khayamian T, Ebrahimi M.

SAR QSAR Environ Res. 2013;24(9):773-94. doi: 10.1080/1062936X.2013.792877. Epub 2013 Jul 17.

PMID:
23863115
11.

Design, synthesis, crystal structure, insecticidal activity, molecular docking, and QSAR studies of novel N3-substituted imidacloprid derivatives.

Wang MJ, Zhao XB, Wu D, Liu YQ, Zhang Y, Nan X, Liu H, Yu HT, Hu GF, Yan LT.

J Agric Food Chem. 2014 Jun 18;62(24):5429-42. doi: 10.1021/jf501108j. Epub 2014 Jun 6.

PMID:
24834971
12.

Insight into the interactions between novel isoquinolin-1,3-dione derivatives and cyclin-dependent kinase 4 combining QSAR and molecular docking.

Zheng J, Kong H, Wilson JM, Guo J, Chang Y, Yang M, Xiao G, Sun P.

PLoS One. 2014 Apr 10;9(4):e93704. doi: 10.1371/journal.pone.0093704. eCollection 2014.

13.

Adamantane-substituted guanylhydrazones: novel inhibitors of butyrylcholinesterase.

Sekutor M, Mlinarić-Majerski K, Hrenar T, Tomić S, Primožič I.

Bioorg Chem. 2012 Apr-Jun;41-42:28-34. doi: 10.1016/j.bioorg.2012.01.004. Epub 2012 Jan 24.

PMID:
22336689
14.

3D QSAR studies of AChE inhibitors based on molecular docking scores and CoMFA.

Akula N, Lecanu L, Greeson J, Papadopoulos V.

Bioorg Med Chem Lett. 2006 Dec 15;16(24):6277-80. Epub 2006 Oct 16.

PMID:
17049234
15.

Structure-based and multiple potential three-dimensional quantitative structure-activity relationship (SB-MP-3D-QSAR) for inhibitor design.

Du QS, Gao J, Wei YT, Du LQ, Wang SQ, Huang RB.

J Chem Inf Model. 2012 Apr 23;52(4):996-1004. doi: 10.1021/ci300066y. Epub 2012 Apr 13.

PMID:
22480344
16.

Molecular docking and 3D-QSAR study on 4-(1H-indazol-4-yl) phenylamino and aminopyrazolopyridine urea derivatives as kinase insert domain receptor (KDR) inhibitors.

Wu X, Wu S, Chen WH.

J Mol Model. 2012 Mar;18(3):1207-18. doi: 10.1007/s00894-011-1146-9. Epub 2011 Jun 22.

PMID:
21695506
17.

Synthesis, molecular docking and antiamnesic activity of selected 2- naphthyloxy derivatives.

Piplani P, Singh P, Sharma A.

Med Chem. 2013 May;9(3):371-8.

PMID:
22921109
18.

Design, synthesis, docking study and biological evaluation of some novel tetrahydrochromeno [3',4':5,6]pyrano[2,3-b]quinolin-6(7H)-one derivatives against acetyl- and butyrylcholinesterase.

Khoobi M, Alipour M, Moradi A, Sakhteman A, Nadri H, Razavi SF, Ghandi M, Foroumadi A, Shafiee A.

Eur J Med Chem. 2013 Oct;68:291-300. doi: 10.1016/j.ejmech.2013.07.045. Epub 2013 Aug 11.

PMID:
23988412
19.

Synthesis of some new 3-coumaranone and coumarin derivatives as dual inhibitors of acetyl- and butyrylcholinesterase.

Alipour M, Khoobi M, Nadri H, Sakhteman A, Moradi A, Ghandi M, Foroumadi A, Shafiee A.

Arch Pharm (Weinheim). 2013 Aug;346(8):577-87. doi: 10.1002/ardp.201300080. Epub 2013 Jul 15.

PMID:
23852709
20.

Synthesis, biological activity and molecular modeling studies on 1H-benzimidazole derivatives as acetylcholinesterase inhibitors.

Alpan AS, Parlar S, Carlino L, Tarikogullari AH, Alptüzün V, Güneş HS.

Bioorg Med Chem. 2013 Sep 1;21(17):4928-37. doi: 10.1016/j.bmc.2013.06.065. Epub 2013 Jul 10.

PMID:
23891231

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