Novel inhibitors of human glucose-6-phosphate dehydrogenase (HsG6PD) affect the activity and stability of the protein

• Published in: Biochimica et biophysica acta. General subjects Vol. 1865; no. 3; p. 129828
• Main Authors: Ramírez-Nava, Edson Jiovany, Hernández-Ochoa, Beatriz, Navarrete-Vázquez, Gabriel, Arreguín-Espinosa, Roberto, Ortega-Cuellar, Daniel, González-Valdez, Abigail, Martínez-Rosas, Víctor, Morales-Luna, Laura, Martínez-Miranda, Josué, Sierra-Palacios, Edgar, Rocha-Ramírez, Luz María, De Franceschi, Lucia, Marcial-Quino, Jaime, Gómez-Manzo, Saúl
• Format: Journal Article
• Language: English
• Published: Netherlands Elsevier B.V 01.03.2021
• Subjects: Catalytic Domain; circular dichroism spectroscopy; Enzyme Assays; Enzyme Inhibitors - chemistry; fluorescence emission spectroscopy; Gene Expression; Glucosephosphate Dehydrogenase - antagonists & inhibitors; Glucosephosphate Dehydrogenase - chemistry; Glucosephosphate Dehydrogenase - genetics; Glucosephosphate Dehydrogenase - metabolism; HsG6PD inhibition; Humans; Inhibition type; Kinetics; Molecular docking; Molecular Docking Simulation; NADP-glucose-6-phosphate dehydrogenase; neoplasms; pentose phosphate cycle; Protein Binding; Protein Conformation, alpha-Helical; Protein Conformation, beta-Strand; Protein Interaction Domains and Motifs; Protein Stability; Protein Structure, Tertiary; reaction kinetics; Recombinant Proteins - chemistry; Recombinant Proteins - genetics; Recombinant Proteins - metabolism; Second-order inactivation constant; Small Molecule Libraries - chemistry; Structural perturbation; Structure-Activity Relationship; Substrate Specificity; thermal stability; Thermodynamics; Inhibition type; Second-order inactivation constant; HsG6PD inhibition; Molecular docking; Structural perturbation

The pentose phosphate pathway (PPP) has received significant attention because of the role of NADPH and R-5-P in the maintenance of cancer cells, which are necessary for the synthesis of fatty acids and contribute to uncontrollable proliferation. The HsG6PD enzyme is the rate-limiting step in the ox...