Here, we will examine some of the most relevant drugs identified as
antiviral and their molecular interactions recorded in ChEMBL DB.
The 4k repurposed substances show a complex interaction map, as depicted in the down-left graph. It’s difficult to see anything, but we can apply filters to select best scored drugs and molecular targets with most potent recorded interactions to make them visible.
just click to expand charts.
Al interactions of repositioned drugs
Most relevant interactions of best scored drugs and targets.
We can also visualize these interactions employing a tree map.
Either categorized by mechanism of action…
or by drug name…
But, for more specific views, it may be better to go through specific mechanisms, just clicking on the tabs below.
Drugs acting through...
- Ser/Thre/PI3Kinases
- Transporters
- G-protein coupled receptors
- Tyrosine-kinases
- Nucleic acids interacting proteins
- Voltage-gated ion channels
- Steroid synthesis enzymes
- Ub-ligases & bromodomains
- Proteases
- Sigma receptors
- Nuclear receptors
- Heat shock proteins
- BCL2 protein family
- Potential therapeutics for SARS from Reactome
- Cholinesterases
- Gonadotropin-releasing hormone receptors
- ATPase ion pumps
- Histone deacetylases
- Fungal glucan synthases
- Purinergic P2X7 receptors
- Kinesins
Repurposed drugs acting through Ser/Thre kinases. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with transporters. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with G-protein coupled receptors. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with tyrosine-kinases. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with DNA/RNA binding proteins. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with voltage-gated ion channels. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with steroid synthesis enzymes. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with Ub-ligases and bromodomains. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with proteases. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with Sigma receptors and their selectivity profile. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with nuclear receptors. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with heat shock proteins and selectivity profile. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with BCL2 proteins and selectivity. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with proteins participating in pathways involved in SARS therapeutics as recorded in Reactome DB. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with different cholinesterase enzymes alongside with their selectivity. Size by predicted sarsScore.
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with Gonadotropin-releasing hormone receptors. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with ATPase ion pumps and selectivity profile. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with histone deacetylases and selectivity profile. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with fungal glucan synthases and selectivity profile. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with purinergic P2X7 receptors. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
Repurposed drugs interacting with kinesins. Size by predicted sarsScore
The corresponding tree map.
Use search function in table to view values for specific interactions
And finally, drug structures.
Molecule labels key
