CD ComputaBio now offers professional CD44 targeting services using computational approaches to meet your research needs.
CD44 is involved in a variety of cellular functions, including lymphocyte activation, recycling and homing, hematopoiesis, and tumor metastasis. CD44 is a receptor for hyaluronic acid and can also interact with other ligands such as osteopontin, collagen and matrix metalloproteinases (MMPs). CD44 function is controlled by its post-translational modifications. A key modification involves discrete sialylation, resulting in the selectin-binding glycoform of CD44, called HCELL. Variations in CD44 have been reported to be a cell surface marker for some breast and prostate cancer stem cells. In breast cancer research, CD44+/CD24- expression is commonly used as a marker for breast CSCs to classify breast cancer cells into populations enriched for cells with stem-like characteristics and is seen as an indicator of improved survival epithelial time in ovarian cancer patients. Endometrial cells from women with endometriosis exhibit increased expression of the CD44 splice variant and increased adhesion to peritoneal cells.
Our Services
- Fold Recognition Service
CD ComputaBio provides professional protein fold identification services, we help identify the correct structural fold in the known template protein structure of the target protein by combining sequence map alignment with multiple structural information. We start by building a database/library of structural templates and gradually replace sequences in the library of known protein structures with query sequences of unknown structure. Target sequences can be compared to each structural template through the scoring function of the optimized design. Repeat this process for all known 3D structures in the template database until the best fit is found.
- Reverse Docking Service
Through reverse docking, we can identify new disease targets and explain the molecular mechanism of substances. A prerequisite for reverse docking is a collection of target structures that contain information about potential ligand-binding regions. The correct construction of the target structure database is a key step to improve the accuracy and applicability of the reverse docking method. The researchers selected specific reverse docking tools and servers to meet their specific conditions and purposes. Many studies have used reverse docking as a primary method or secondary option for the analysis of broad-spectrum targets associated with small molecules.
- Antibody-Antigen Interaction Prediction
CD ComputaBio provides a docking method for antibody Ab to recognize antigen Ag. Computational-based methods for predicting the three-dimensional structure of antibodies from sequences, which are then docked with protein antigens. Antibody modeling uses normalized loop conformations to graft large fragments from experimentally determined structures and perform energy calculations to minimize loops. Our docking method improves the relative orientation of VL-VH and can predict the elusive CDR H3 loop from the outset. To reduce model uncertainty, antibody-antigen docking resamples the CDR loop conformation, and multiple models can be used to represent the conformation set of antibodies and antigens.
Our Capabilities
CD ComputaBio focuses on target analysis services, and we are committed to contributing to more customers. We provide customers with the highest quality one-stop target service, including the development of experimental procedures according to different experimental needs. Please feel free to contact us for more details and our scientists will tailor the most reasonable plan for your project.
Figure 1. Flowchart for computer-aided drug design.
Our Homology Modeling Service Targeting CD44
CD ComputaBio provides high-quality homology modeling services. The findings can help researchers understand the structural properties of target proteins, analyze their "structure-function" relationships, and can be used for drug screening, discovery of potential disease treatment drugs, or studies of target-drug interactions. Our homology modeling steps include:
- Choose templates and align sequences
- Determine whether there is a template available
- Build the main chain structure
- Build a ring area
- Sidechain Modeling and Optimization
- Overall structure optimization
- Structural evaluation
References
- Li F, Tiede B, Massagué J, Kang Y. Beyond tumorigenesis: cancer stem cells in metastasis. Cell Research. 2007, 17 (1): 3–14.
- Sillanpää S, Anttila MA, Voutilainen K, et al. CD44 expression indicates favorable prognosis in epithelial ovarian cancer. Clinical Cancer Research. 2003, 9 (14): 5318–24.
- Griffith JS, Liu YG, Tekmal RR, et al. Menstrual endometrial cells from women with endometriosis demonstrate increased adherence to peritoneal cells and increased expression of CD44 splice variants. Fertility and Sterility. 2010, 93 (6): 1745–9.
* For Research Use Only.
