Bioclues.org, Hyderabad 500072, India.
Biomolecules. 2022 Nov 3;12(11):1633. doi: 10.3390/biom12111633.
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 avenues for altered functional interactions and the design of peptide mimetics that can be experimentally validated for their role in tissue culture or transformation media. This novel data could pave the way for the exploitation of BBM's potential as the master regulator of specialized plant processes such as apomixes, haploid embryogenesis, and CRISPR/Cas9 transgenic development.
婴儿潮（BBM）是一种关键的转录因子，它可以触发胚胎发生，提高转化和再生效率，并调节植物中的发育途径。在非模式作物中触发或激活 BBM 可以克服植物育种中的瓶颈。了解 BBM 的结构对于功能表征以及确定相互作用的伙伴和/或配体至关重要。本研究旨在通过对所有植物蛋白质组进行序列和保守性分析，预测蛋白质-蛋白质和蛋白质-配体相互作用，并进行分子对接和分子动力学（MD）模拟，来特异性确定结合位点的氨基酸残基。此外，还预测了与 BBM 相互作用的肽序列，这为改变功能相互作用提供了途径，并设计了肽模拟物，可以通过实验验证它们在组织培养或转化介质中的作用。这项新的数据为开发 BBM 的潜力铺平了道路，BBM 是专门的植物过程的主调控因子，例如无融合生殖、单倍体胚胎发生和 CRISPR/Cas9 转基因发育。
