Journal: Frontiers in Pharmacology
Article Title: Discovery of highly potent and novel LSD1 inhibitors for the treatment of acute myeloid leukemia: structure-based virtual screening, molecular dynamics simulation, and biological evaluation
doi: 10.3389/fphar.2025.1510319
Figure Lengend Snippet: The predicted docking poses and binding surface of LTM-1 and LTM-3 in the active site of LSD1, respectively. (A) and (B) represent LTM-1; (C, D) represent LTM-3. The structure of LTM-1 is represented by cyan sticks. The structure of LTM-3 is depicted by yellow sticks. Key amino acids in the active site are represented by pink sticks and annotated with three-letter amino acid codes. The surface of the LSD1 protein is rendered with hydrogen bond regions (purple), hydrophobic regions (green), and moderately polar regions (blue).
Article Snippet: Recombinant human LSD1 (172–852 aa) and full-length LSD2 were obtained from Sino Biological Inc. and ActiveMotif.
Techniques: Binding Assay