Exploring Human Diseases and Biological Mechanisms by Protein Structure Prediction and Modeling.

Abstract

Protein structure prediction and modeling provide a tool for understanding protein functions by computationally constructing protein structures from amino acid sequences and analyzing them. With help from protein prediction tools and web servers, users can obtain the three-dimensional protein structure models and gain knowledge of functions from the proteins. In this chapter, we will provide several examples of such studies. As an example, structure modeling methods were used to investigate the relation between mutation-caused misfolding of protein and human diseases including epilepsy and leukemia. Protein structure prediction and modeling were also applied in nucleotide-gated channels and their interaction interfaces to investigate their roles in brain and heart cells. In molecular mechanism studies of plants, rice salinity tolerance mechanism was studied via structure modeling on crucial proteins identified by systems biology analysis; trait-associated protein-protein interactions were modeled, which sheds some light on the roles of mutations in soybean oil/protein content. In the age of precision medicine, we believe protein structure prediction and modeling will play more and more important roles in investigating biomedical mechanism of diseases and drug design.

• Authors: Juexin Wang, Joseph Luttrell 4th, Ning Zhang, Saad Khan, NianQing Shi, Michael X Wang, Jing-Qiong Kang, Zheng Wang, Dong Xu
• Journal: Advances in experimental medicine and biology (Adv Exp Med Biol) Vol. 939 Pg. 39-61 ( 2016) ISSN: 0065-2598 [Print] United States
• PMID: 27807743 (Publication Type: Journal Article)

Chemical References

• CAV3 protein, human
• Caveolin 3
• GABRG2 protein, human
• HCN2 protein, human
• Hyperpolarization-Activated Cyclic Nucleotide-Gated Channels
• Ligands
• Potassium Channels
• Receptors, GABA-A
• CASP9 protein, human
• Caspase 9

Topics

• Amino Acid Sequence
• Brain (metabolism, pathology)
• Caspase 9 (chemistry, genetics, metabolism)
• Caveolin 3 (chemistry, genetics, metabolism)
• Computational Biology (methods)
• Epilepsy (genetics, metabolism, pathology)
• Genome-Wide Association Study
• Humans
• Hyperpolarization-Activated Cyclic Nucleotide-Gated Channels (chemistry, genetics, metabolism)
• Ligands
• Molecular Docking Simulation
• Molecular Dynamics Simulation
• Oryza (genetics)
• Plant Breeding
• Potassium Channels (chemistry, genetics, metabolism)
• Precision Medicine (methods)
• Protein Binding
• Protein Conformation
• Receptors, GABA-A (chemistry, genetics, metabolism)
• Sequence Alignment
• Software