BioMed Research International / 2015 / Article / Tab 3

Research Article

Implication of Caspase-3 as a Common Therapeutic Target for Multineurodegenerative Disorders and Its Inhibition Using Nonpeptidyl Natural Compounds

Table 3

List of hydrogen bonding and hydrophobic interactions of nonpeptidyl and peptidyl inhibitors with the amino acids of caspase-3.

InhibitorsResidues involved
Hydrogen bondHydrophobic interaction

Nonpeptidyl
 Rosmarinic acid ARG179, SER236, GlN283, ARG341, PHE381HIS237, CYS285, SER339, TRP340, and ARG341
 CurcuminARG179, and SER343HIS237, GLN283, ALA284, TYR338, SER339, TRP340, ARG341, and PHE381
 LuteolinARG179, SER236, GLN283, and TYR338HIS237, CYS285, TYR338, SER339, ARG341, and PHE381
 Huperzine AARG179HIS237, CYS285, TYR338, SER339, TRP340, and ARG341
Peptidyl
 Tetrapeptide aldehyde 
  AC-DEVD-CHO
ARG179, SER236, GlN283, ARG341, SER343, and SER339HIS237, CYS285, TRP340, ARG341, and SER343

Bold and italic amino acids represent similar interaction as observed for peptidyl inhibitor.

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