BabyBoom: 3-Dimensional Structure-Based Ligand and Protein Interaction Prediction by Molecular Docking.

ABSTRACT: Baby Boom (BBM) is a key transcription factor that triggers embryogenesis, enhances transformation and regeneration efficiencies, and regulates developmental pathways in plants. Triggering or activating BBM in non-model crops could overcome the bottlenecks in plant breeding. Understanding BBM's structure is critical for functional characterization and determination of interacting partners and/or ligands. The current in silico study aimed to study BBM's sequence and conservation across all plant proteomes, predict protein-protein and protein-ligand interactions, and perform molecular docking and molecular dynamics (MD) simulation to specifically determine the binding site amino acid residues. In addition, peptide sequences that interact with BBM have also been predicted, which provide avenu

SUBMITTER: Panchangam SS 

PROVIDER: S-EPMC9687316 | biostudies-literature | 2022 Nov

REPOSITORIES: biostudies-literature