Potent BACE-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies (Q33826962)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21342558%20AND%20SRC:MED&resulttype=core&format=json

23 January 2020

title

Potent BACE-1 inhibitor design using pharmacophore modeling, in silico screening and molecular docking studies (English)

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23 January 2020

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23 January 2020

Shalini John

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23 January 2020

Sundarapandian Thangapandian

series ordinal

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23 January 2020

Keun Woo Lee

series ordinal

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23 January 2020

publication date

15 February 2011

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23 January 2020

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23 January 2020

volume

12 Suppl 1

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23 January 2020

page(s)

S28

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An overview of the PubChem BioAssay resource

23 January 2020

cites work

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Second generation of BACE-1 inhibitors part 2: Optimisation of the non-prime side substituent

4 July 2018

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Second generation of BACE-1 inhibitors. Part 1: The need for improved pharmacokinetics

4 July 2018

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Second generation of BACE-1 inhibitors part 3: Towards non hydroxyethylamine transition state mimetics

4 July 2018

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Structure-based design and synthesis of macrocyclic peptidomimetic beta-secretase (BACE-1) inhibitors

4 July 2018

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Identification of a small molecule beta-secretase inhibitor that binds without catalytic aspartate engagement

4 July 2018

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Second generation of hydroxyethylamine BACE-1 inhibitors: optimizing potency and oral bioavailability

4 July 2018

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BACE-1 inhibitors part 3: identification of hydroxy ethylamines (HEAs) with nanomolar potency in cells

4 July 2018

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Design, synthesis, and crystal structure of hydroxyethyl secondary amine-based peptidomimetic inhibitors of human beta-secretase

4 July 2018

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Discovery and SAR of isonicotinamide BACE-1 inhibitors that bind beta-secretase in a N-terminal 10s-loop down conformation

4 July 2018

1 reference

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Progress toward the discovery and development of efficacious BACE inhibitors

4 July 2018

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SciFinder Scholar 2006: an empirical analysis of research topic query processing.

4 July 2018

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Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics

4 July 2018

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The Abeta hypothesis: leading us to rationally-designed therapeutic strategies for the treatment or prevention of Alzheimer disease

4 July 2018

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LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters

4 July 2018

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Design and synthesis of hydroxyethylene-based peptidomimetic inhibitors of human beta-secretase

4 July 2018

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Alzheimer's disease and Parkinson's disease

4 July 2018

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BACE knockout mice are healthy despite lacking the primary beta-secretase activity in brain: implications for Alzheimer's disease therapeutics

4 July 2018

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BACE1 is the major beta-secretase for generation of Abeta peptides by neurons

4 July 2018

1 reference

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Mice deficient in BACE1, the Alzheimer's beta-secretase, have normal phenotype and abolished beta-amyloid generation

4 July 2018

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LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions

4 July 2018

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Identification of potent virtual leads to design novel indoleamine 2,3-dioxygenase inhibitors: pharmacophore modeling and molecular docking studies.

4 July 2018

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Synthesis, biological evaluation, and three-dimensional in silico pharmacophore model for sigma(1) receptor ligands based on a series of substituted benzo[d]oxazol-2(3H)-one derivatives

29 October 2018

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Macrocyclic inhibitors of beta-secretase: functional activity in an animal model

29 October 2018

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Pharmacophore modeling and in silico screening for new P450 19 (aromatase) inhibitors

29 October 2018

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Pharmacophore definition and three-dimensional quantitative structure-activity relationship study on structurally diverse prostacyclin receptor agonists

29 October 2018

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Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation

29 October 2018

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BACE-1 inhibition by a series of psi[CH2NH] reduced amide isosteres

29 October 2018

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12 December 2020

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12 December 2020

Ligand and structure based pharmacophore modeling to facilitate novel histone deacetylase 8 inhibitor design

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12 December 2020

Docking-enabled pharmacophore model for histone deacetylase 8 inhibitors and its application in anti-cancer drug discovery

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12 December 2020

Evaluating scoring functions for docking and designing beta-secretase inhibitors

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12 December 2020

Applicability of CATALYST in ecotoxicology, a new promising tool for 3D-QSAR: study of chlorophenols

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12 December 2020

10.1186/1471-2105-12-S1-S28

Identifiers

DOI

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23 January 2020

DBLP publication ID

journals/bmcbi/JohnTSL11

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

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23 January 2020

PubMed publication ID

21342558

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21342558%20AND%20SRC:MED&resulttype=core&format=json