Journal: Biomedicines

Article Title: Antipsychotic Drug Cariprazine Induces Distinct Cell Death Mechanisms in HeLa and HCT116 Cells as a Potential Inhibitor of Qi-Site of Cytochrome bc1 Reductase

doi: 10.3390/biomedicines14020315

Figure Lengend Snippet: Identification of the Qi binding pocket of cytochrome bc1 reductase. This figure presents a detailed 3D view of the bovine Qi binding pocket of cytochrome bc1 reductase and 2D interactions between amino acid residues of Qi and ( A ) Ubiquinone (PDB:ID:1NTZ) and ( B ) Antimycin A (PDB: ID-1NTK). These interactions are elucidated using BIOVIA Discovery Studio Visualizer. ( C ) The sequence alignment compares bovine cytochrome b (UniProt P00157 ) to human cytochrome b (UniProt P00156 ). The identical residues between the two species are colored in green. The highly conserved interacting amino acid residues in the Qi binding pocket are highlighted in red boxes.

Article Snippet: Using BIOVIA Discovery Studio Visualizer, we examined the crystal structure of cytochrome bc1 reductase in complex with UQ (PDB ID:1NTZ) at a resolution of 2.60 Å ( A), as well as the crystal structure of the mitochondrial cytochrome bc1 complex bound with Antimycin A1 (Ant A) (PDB ID: 1NTK) at the same resolution ( B).

Techniques: Binding Assay, Sequencing

Journal: Biomedicines

Article Title: Antipsychotic Drug Cariprazine Induces Distinct Cell Death Mechanisms in HeLa and HCT116 Cells as a Potential Inhibitor of Qi-Site of Cytochrome bc1 Reductase

doi: 10.3390/biomedicines14020315

Figure Lengend Snippet: Binding predictions of CAR with the Qi binding pocket of cytochrome bc1 reductase. Molecular docking was conducted utilizing SwissDock 2024, and the structures of the most stable Qi binding site in cytochrome bc1 reductase complexes with ( A ) CAR and ( B ) Antimycin A (Ant A) are presented. The predicted total binding affinities are displayed as clusters of analogous poses, ranked according to the AC score (total binding energy), along with the estimated free energies (ΔG) for the binding interactions of ( C ) CAR with Qi site and ( D ) Ant A with Qi site.

Article Snippet: Using BIOVIA Discovery Studio Visualizer, we examined the crystal structure of cytochrome bc1 reductase in complex with UQ (PDB ID:1NTZ) at a resolution of 2.60 Å ( A), as well as the crystal structure of the mitochondrial cytochrome bc1 complex bound with Antimycin A1 (Ant A) (PDB ID: 1NTK) at the same resolution ( B).

Techniques: Binding Assay

Journal: Biomedicines

Article Title: Antipsychotic Drug Cariprazine Induces Distinct Cell Death Mechanisms in HeLa and HCT116 Cells as a Potential Inhibitor of Qi-Site of Cytochrome bc1 Reductase

doi: 10.3390/biomedicines14020315

Figure Lengend Snippet: Three-dimensional and two-dimensional visualization of CAR’s interaction with cytochrome bc1 Qi site using BIOVIA Discovery Studio. The figure illustrates different binding poses and interactions of CAR-Qi clusters: ( A ) 0.1, ( B ) 0.2, ( C ) 2.1, ( D ) 3.1, ( E ) 5.1, and ( F ) 6.3. Predicted CAR interactions with Qi site amino acid residues; green dashed lines indicate hydrogen bonds, pink dashed lines represent hydrophobic pi–cation interactions, orange dashed lines denote attractive charge interactions, and light blue lines illustrate van der Waals interactions.

Article Snippet: Using BIOVIA Discovery Studio Visualizer, we examined the crystal structure of cytochrome bc1 reductase in complex with UQ (PDB ID:1NTZ) at a resolution of 2.60 Å ( A), as well as the crystal structure of the mitochondrial cytochrome bc1 complex bound with Antimycin A1 (Ant A) (PDB ID: 1NTK) at the same resolution ( B).

Techniques: Binding Assay

Journal: Biomedicines

Article Title: Antipsychotic Drug Cariprazine Induces Distinct Cell Death Mechanisms in HeLa and HCT116 Cells as a Potential Inhibitor of Qi-Site of Cytochrome bc1 Reductase

doi: 10.3390/biomedicines14020315

Figure Lengend Snippet: Structural comparison of CAR-Qi and Ant A-Qi complexes. Superimposition of the three-dimensional structures of ( A ) the CAR 3.1-Qi complex and ( B ) the CAR 6.3-Qi complex, obtained through molecular docking (red), with the crystal structure of the cytochrome bc1 Qi site bound to Antimycin A (Ant A) (PDB ID: 1NTK) (light green). Yellow dashes indicate the bonds formed between amino acids (white lines) and CAR at the QI site. Superimposition and visualization were performed utilizing UCSF Chimera.

Article Snippet: Using BIOVIA Discovery Studio Visualizer, we examined the crystal structure of cytochrome bc1 reductase in complex with UQ (PDB ID:1NTZ) at a resolution of 2.60 Å ( A), as well as the crystal structure of the mitochondrial cytochrome bc1 complex bound with Antimycin A1 (Ant A) (PDB ID: 1NTK) at the same resolution ( B).

Techniques: Comparison