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Items: 16

1.

Application of molecular framework-based data-mining method in the search for beta-secretase 1 inhibitors through drug repurposing.

Ion GND, Mihai DP, Lupascu G, Nitulescu GM.

J Biomol Struct Dyn. 2018 Nov 13:1-12. doi: 10.1080/07391102.2018.1526115. [Epub ahead of print]

PMID:
30234434
2.

Kinetic and structural studies on the interactions of Torpedo californica acetylcholinesterase with two donepezil-like rigid analogues.

Caliandro R, Pesaresi A, Cariati L, Procopio A, Oliverio M, Lamba D.

J Enzyme Inhib Med Chem. 2018 Dec;33(1):794-803. doi: 10.1080/14756366.2018.1458030.

3.

Factors Influencing the Potency of Alzheimer Inhibitors: Computational and Docking Studies.

Atlam F, Awad M, Salama R.

Am J Alzheimers Dis Other Demen. 2018 May;33(3):166-175. doi: 10.1177/1533317517749207. Epub 2018 Jan 5.

PMID:
29301410
4.

Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints.

Liu J, Su M, Liu Z, Li J, Li Y, Wang R.

BMC Bioinformatics. 2017 Jul 18;18(1):343. doi: 10.1186/s12859-017-1750-5.

5.

Inhibitory effects of serratene-type triterpenoids from Lycopodium complanatum on cholinesterases and β-secretase 1.

Nguyen VT, Zhao BT, Seong SH, Kim JA, Woo MH, Choi JS, Min BS.

Chem Biol Interact. 2017 Aug 25;274:150-157. doi: 10.1016/j.cbi.2017.07.006. Epub 2017 Jul 8.

PMID:
28698023
6.

Multi-functional activities of citrus flavonoid narirutin in Alzheimer's disease therapeutics: An integrated screening approach and in vitro validation.

Chakraborty S, Basu S.

Int J Biol Macromol. 2017 Oct;103:733-743. doi: 10.1016/j.ijbiomac.2017.05.110. Epub 2017 May 19.

PMID:
28528948
7.

Do Fragments and Crystallization Additives Bind Similarly to Drug-like Ligands?

Drwal MN, Jacquemard C, Perez C, Desaphy J, Kellenberger E.

J Chem Inf Model. 2017 May 22;57(5):1197-1209. doi: 10.1021/acs.jcim.6b00769. Epub 2017 Apr 26.

PMID:
28414463
8.

Pharmacophore based 3D-QSAR modeling, virtual screening and docking for identification of potential inhibitors of β-secretase.

Palakurti R, Vadrevu R.

Comput Biol Chem. 2017 Jun;68:107-117. doi: 10.1016/j.compbiolchem.2017.03.001. Epub 2017 Mar 6.

PMID:
28288354
9.

Acylguanidine Beta Secretase 1 Inhibitors: A Combined Experimental and Free Energy Perturbation Study.

Keränen H, Pérez-Benito L, Ciordia M, Delgado F, Steinbrecher TB, Oehlrich D, van Vlijmen HW, Trabanco AA, Tresadern G.

J Chem Theory Comput. 2017 Mar 14;13(3):1439-1453. doi: 10.1021/acs.jctc.6b01141. Epub 2017 Feb 3.

PMID:
28103438
10.

Design, synthesis and biological evaluation of new phthalimide and saccharin derivatives with alicyclic amines targeting cholinesterases, beta-secretase and amyloid beta aggregation.

Panek D, Więckowska A, Wichur T, Bajda M, Godyń J, Jończyk J, Mika K, Janockova J, Soukup O, Knez D, Korabecny J, Gobec S, Malawska B.

Eur J Med Chem. 2017 Jan 5;125:676-695. doi: 10.1016/j.ejmech.2016.09.078. Epub 2016 Sep 26.

PMID:
27721153
11.

Kinetics and molecular docking studies of loganin, morroniside and 7-O-galloyl-D-sedoheptulose derived from Corni fructus as cholinesterase and β-secretase 1 inhibitors.

Bhakta HK, Park CH, Yokozawa T, Min BS, Jung HA, Choi JS.

Arch Pharm Res. 2016 Jun;39(6):794-805. doi: 10.1007/s12272-016-0745-5. Epub 2016 Apr 22.

PMID:
27106028
12.

Development and Application of a Virtual Screening Protocol for the Identification of Multitarget Fragments.

Bottegoni G, Veronesi M, Bisignano P, Kacker P, Favia AD, Cavalli A.

ChemMedChem. 2016 Jun 20;11(12):1259-63. doi: 10.1002/cmdc.201500521. Epub 2015 Dec 10.

PMID:
26663255
13.

Natural Products based P-glycoprotein Activators for Improved β-amyloid Clearance in Alzheimer's Disease: An in silico Approach.

Shinde P, Vidyasagar N, Dhulap S, Dhulap A, Hirwani R.

Cent Nerv Syst Agents Med Chem. 2015;16(1):50-9.

PMID:
26306632
14.

Isolation of cholinesterase and β-secretase 1 inhibiting compounds from Lycopodiella cernua.

Nguyen VT, To DC, Tran MH, Oh SH, Kim JA, Ali MY, Woo MH, Choi JS, Min BS.

Bioorg Med Chem. 2015 Jul 1;23(13):3126-34. doi: 10.1016/j.bmc.2015.04.080. Epub 2015 May 6.

PMID:
26003344
15.

In silico study of peptide inhibitors against BACE 1.

Raj N, Helen A, Manoj N, Harish G, Thomas V, Singh S, Sehrawat S, Seth S, Nair AS, Grover A, Dhar PK.

Syst Synth Biol. 2015 Jun;9(1-2):67-72. doi: 10.1007/s11693-015-9169-7. Epub 2015 Mar 19.

16.

In silico approaches: prediction of biological targets for fullerene derivatives.

Gupta SK, Dhawan A, Shanker R.

J Biomed Nanotechnol. 2011 Feb;7(1):91-2.

PMID:
21485819

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