Table 2.
Target | PDB ID | Pubchem iD | Binding energy | Drug |
---|---|---|---|---|
BCL2 | 1G5M | 164448 | −3.56 | Monoisoamyl-2,3-dimercaptosuccinate |
BCL2 | 1GJH | 164448 | −3.26 | Monoisoamyl-2,3-dimercaptosuccinate |
CDK20 | – | 164448 | −2.17 | Monoisoamyl-2,3-dimercaptosuccinate |
BCL2 | 1G5M | 5035 | −7.91 | Menadione sodium bisulfite |
BCL2 | 1GJH | 5035 | −10.11 | Menadione sodium bisulfite |
AOX1 | 8EMT | 5035 | −4.08 | Menadione sodium bisulfite |
It includes the Protein Data Bank (PDB) ID, PubChem ID of the drugs, and their binding energy values indicating the strength of interaction. The table lists multiple interactions for BCL2, CDK20, and AOX1 targets, with corresponding drugs such as Monoisamyl-2,3-dimercaptosuccinate and Menadione sodium bisulfite, highlighting potential therapeutic implications.