The proto-oncogene ROS1 encodes a receptor tyrosine kinase with an unknown physiological role in humans. Somatic chromosomal fusions involving ROS1 generate chimeric oncoproteins that drive multiple cancers in both adult and pediatric patients. ROS1-directed tyrosine kinase inhibitors (TKIs) have therapeutic activity against these cancers. In patients with ROS1-positive lung cancer, the ROS1 gene is fused (linked) to part of another gene. This activates the ROS1 gene in a way that leads to uncontrolled cell growth and cancer. This genetic change is called a ROS1 fusion or ROS1 rearrangement. Therefore, the study of kinase inhibitors especially for the treatment of ROS1 fusion-positive non-small cell lung cancer is crucial. Now, CD ComputaBio offers professional ROS1 targeting services to meet your research needs.
Figure 1. Timeline of key advances in targeting ROS1 in lung cancer.( JJ Lin, Shaw A T.2017)
Our Services
- Computer Aided Drug Design
The computer-aided drug design services we provide are based on computational chemistry, a method to design and optimize lead compounds through computer simulation, prediction and budgeting of the relationship between small molecule compounds (inhibitors) and ROS1. Service details generally include active site analysis, database searches, and molecular docking.
In addition to small molecule inhibitor design services, we also provide you with antibody drug discovery services, including but not limited to antibody reformatting services (CD ComputaBio can reformat antibodies and antibody fragments into almost any format), antibody modeling services (Modeling of the structure including the Fv region as well as the modeling of the entire antibody region (Fc)).
- Protein Sequence Analysis Service
Protein sequence analysis was used to determine the amino acid sequence of the protein moiety (peptide, oligopeptide) after the interaction of the target ROS1 with the small molecule inhibitor. Amino acid sequences can be used in bioinformatic analysis to predict the structure and possible function of proteins. We offer a variety of tools and techniques for analyzing alignment products and providing sequence comparisons to study their biology.
Our Capabilities
As a technology company focused on computational biology, CD ComputaBio is committed to providing customers with high-quality target-related analysis services. With advanced computing platforms and experienced personnel, we provide a one-stop service for target computing service research. Our comprehensive solutions will facilitate your research projects and explore potential clinical applications of your targets.
Our Protein Structure Modeling Strategies Targeting ROS1
- Fold Recognition
By combining sequence map alignment with multiple structural information, it can help identify the correct structural fold in the known template protein structure of ROS1. We start by building a database of structural templates and gradually replace sequences in the library of known protein structures with query sequences of unknown structure. The resulting structural models are all quality-validated and can be used in computer software or downstream experimental work such as protein engineering and drug design.
- Post-Translational Modification
Provides computational modeling of PTMs, using computational models to predict potential PTM sites in proteins, and to model side-chain and main-chain conformations to reflect changes caused by common PTMs. We provide specialized computational PTM services to help study the corresponding effects on ROS1 structure, kinetics, and binding specificity.
Project Sample
Our computational biology team has extensive experience in the research of ROS1 targets. The following is a small snapshot of our research process for reference only. For details, please feel free to consult our professional team.
Reference
- JJ Lin, Shaw A T. Recent Advances in Targeting ROS1 in Lung Cancer - ScienceDirect. Journal of Thoracic Oncology, 2017, 12(11):1611-1625.
* For Research Use Only.
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