Table 7 Binding energy (kcal/mol) obtained after performing a docking analysis of both the designed molecules (MM124, MM125) and the standard inhibitor ellipticine complexed in the studied PDB structure (PDBid:1Z3F).

From: Synthesis, anticancer evaluation, and electrochemical investigation of new chiral pyrazolo[4,3-e]tetrazolo[1,5-b][1,2,4]triazine sulfonamides

Ligand

Binding energy

(kcal/mol)

(PDB: 1z3f.)

Interacting residues

MM124

-7.59

DC_A5, DG_A6, DC_B1, DG_B2, DA_B3

MM125

-8.18

DC_A5, DG_A6, DC_B1, DG_B2

Ellipticine

(reference ligand)

-8.75

DC_A5, DG_A6, DC_B1, DG_B2

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