Additional file Selection of compounds with possible therapeutic potential in ds according to the Connectivity Map and the passonline software



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Additional file 4. Selection of compounds with possible therapeutic potential in DS according to the Connectivity Map and the PASSonline software.

Cmap name

Cmap enrichment score

Cmap

p-value

Predicted activities* possibly relevant to DS treatment

Adiphenine

-0.847

0.0002

Antineurotoxic

Antiparkinsonian

Proteasome ATPase inhibitor

Ubiquitin thiolesterase inhibitor

Proteasome endopeptidase complex inhibitor activity


Thioperamide

-0.808

0.0006

GABA release inducer

H3 receptor antagonist



Vigabatrin

-0.925

0.0007

Proteasome ATPase inhibitor

GABA transaminase inhibitor

Apoptosis antagonist


3-acetamidocoumarin

-0.856

0.0007

Nerve growth factor agonist

Apoptosis antagonist



Biperiden

-0.782

0.0009

Antiparkinsonian

Antineurotoxic

Nerve growth factor agonist


Viomycin

-0.851

0.0009

Protein-synthesizing GTPase inhibitor

Lisuride

-0.779

0.0009

Antiparkinsonian

Apoptosis antagonist

Dopamine antagonist

GABA receptor antagonist



Prestwick-692

-0.845

0.0010

Not available on PASS

Eticlopride

-0.838

0.0012

Proteasome ATPase inhibitor

Apoptosis antagonist

Neuroprotector

Dopamine antagonist



Prestwick-1103

-0.832

0.0014

Not available on PASS

Isoflupredone

-0.900

0.0019

Antiinflammatory steroid

Phosphatase inhibitor



Oxybenzone

-0.811

0.0025

Free radical scavenger

Cytoprotectant

Neurotrophic factor enhancer

Nerve growth factor agonist

Ligase inhibitor


Podophyllotoxin

-0.802

0.0030

Phosphatase inhibitor

GABA receptor antagonist

Topoisomerase I inhibitor

Neurotrophic factor enhancer

Cytoprotectant


Hexetidine

-0.801

0.0030

Apoptosis antagonist

NMDA receptor glycine site agonist



Prestwick-691

-0.884

0.0031

Not available on PASS

Heptaminol

-0.706

0.0048

Proteasome endopeptidase complex inhibitor

Superoxide dismutase inhibitor

Apoptosis antagonist

NMDA receptor glycine site agonist



Timolol

-0.778

0.0050

Phosphatase inhibitor

Beta adrenoreceptor antagonist



The table displays compounds with enrichment score <-0.7 ordered by p-value, according to Connectivity map.

* The predicted activity is based on PASSonline software (Prediction of Activity Spectra for Substances). Some of the predicted activities are shared by more than one molecule. The possible activities relevant to DS were selected based on the present knowledge on DS pathogenesis. Only compounds with Pa>0.5 are reported in the table. The entire list of the predicted activities for each compound is found at http://www.pharmaexpert.ru/passonline/index.php.


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