Evidence map›Paper›PMID 31973122›Full record

ReviewInternational journal of molecular sciences2020

Computer-Aided Drug Design of β-Secretase, γ-Secretase and Anti-Tau Inhibitors for the Discovery of Novel Alzheimer's Therapeutics.

Varnavas D Mouchlis, Georgia Melagraki, Lefteris C Zacharia, Antreas Afantitis

Open access · goldAbstract readReview
In one paragraph

Review in International journal of molecular sciences, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 28 papers, 1 of them a synthesis that pooled it.

0numbers the graph read from it
0cells of the map it votes in
28citing papers in PubMed, 1 pooled it
5.2field-weighted citation impact, top 4% of its field
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

28 citing papers in PubMed, 1 synthesis or guideline pooled it, 59 citations in OpenAlex.

  1. Pooled it
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  6. Status and Prospects of Research on Deep Learning-basedCurrent computer-aided drug design · 2025
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4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

4 authors at 3 institutions in 2 countries.

Varnavas D MouchlisDepartment of ChemoInformatics, NovaMechanics Ltd., 1046 Nicosia, Cyprus.
Georgia MelagrakiDivision of Physical Sciences & Applications, Hellenic Military Academy, 16672 Vari, Greece.
Lefteris C ZachariaDepartment of Life and Health Sciences, University of Nicosia, 1700 Nicosia, Cyprus.
Antreas AfantitisDepartment of ChemoInformatics, NovaMechanics Ltd., 1046 Nicosia, Cyprus.
NovaMechanics (Cyprus) · CYHellenic Military Academy · GRUniversity of Nicosia · CY

Funding

Research and Innovation Foundation ENTERPRISES/0618/0122
6 · The paper itself

Abstract

Aging-associated neurodegenerative diseases, which are characterized by progressive neuronal death and synapses loss in human brain, are rapidly growing affecting millions of people globally. Alzheimer's is the most common neurodegenerative disease and it can be caused by genetic and environmental risk factors. This review describes the amyloid-β and Tau hypotheses leading to amyloid plaques and neurofibrillary tangles, respectively which are the predominant pathways for the development of anti-Alzheimer's small molecule inhibitors. The function and structure of the druggable targets of these two pathways including β-secretase, γ-secretase, and Tau are discussed in this review article. Computer-Aided Drug Design including computational structure-based design and ligand-based design have been employed successfully to develop inhibitors for biomolecular targets involved in Alzheimer's. The application of computational molecular modeling for the discovery of small molecule inhibitors and modulators for β-secretase and γ-secretase is summarized. Examples of computational approaches employed for the development of anti-amyloid aggregation and anti-Tau phosphorylation, proteolysis and aggregation inhibitors are also reported.

Indexed as

Drug DesignAlzheimer DiseaseAmyloid Precursor Protein SecretasesAnimalsAspartic Acid EndopeptidasesBrainCheminformaticsHumansLigandsMolecular Docking SimulationMolecular Dynamics SimulationNeurodegenerative DiseasesNeurofibrillary TanglesPhosphorylationPlaque, AmyloidProtein ConformationAmyloid Precursor Protein SecretasesAspartic Acid EndopeptidasesBACE1 protein, humanLigandstau ProteinsAlzheimer’s diseasecheminformaticscomputational ligand-based designcomputational structure-based designcomputer-aided drug designmolecular dockingmolecular dynamicsQSARTauβ-secretaseγ-secretase

Identifiers

PMID31973122
PMCPMC7038192
OpenAlexW3001549920

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.