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. 2024 Sep 17;14:1452392. doi: 10.3389/fcimb.2024.1452392

Table 2.

This table presents molecular docking results showing the interaction of various drugs with specific targets.

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.