Table 3.
DDI-CPI | DRAR-CPI | ||||||
---|---|---|---|---|---|---|---|
PDB ID | Class | Putative target | Docking score | PDB ID |
Putative target | Docking score | Z′-score |
3GJW | PD | Poly [ADP-ribose] polymerase 1 | −10,6 | 1MC5 | Alcohol dehydrogenase class-3 | −612,03 | −419,62 |
2WIJ | PD | Cholinesterase | −10,5 | 2BH9 | Glucose-6-phosphate 1-dehydrogenase | −580,99 | −416,22 |
1QTN | PD | Caspase-8 | −10,4 | 1ORE | Adenine phosphoribosyltransferase | −614,95 | −376,09 |
1O86 | PD | Angiotensin-converting enzyme | −10,3 | 2CG5 | L-aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase | −649,52 | −376,07 |
1LD8 | PD | Protein farnesyltransferase subunit beta | −10,2 | 1ZKK | Histone-lysine N-methyltransferase SETD8 | −630,85 | −371,27 |
1T5A | PD | Pyruvate kinase isozymes M1/M2 | −10,1 | 1LN1 | Phosphatidylcholine transfer protein | −639,55 | −370,72 |
1M13 | PD | Nuclear receptor subfamily 1 group I member 2 | −10,0 | 1J8F | NAD-dependent deacetylase sirtuin-2 | −542,85 | −339,43 |
1GZ4 | PD | NAD-dependent malic enzyme, mitochondrial | −9,7 | 1HAK | Annexin A5 | −513,05 | −309,57 |
2PGJ | PD | ADP-ribosyl cyclase 1 | −9,7 | 1AXN | Annexin A3 | −533,45 | −302,98 |
2FZE | PK | Alcohol dehydrogenase class-3 | −9,5 | 1YOW | Steroidogenic factor 1 | −593,18 | −300,48 |