Target structure information can be utilized in multiple links of drug discovery, such as target selection, identification and optimization of hits, development of final properties of compounds using multi-threaded processes, as well as reconstruction of biological macromolecular structures by rational design to optimize their drugability. Moreover, the high drug attrition rate associated with late-phase clinical trials in drug development is an important reason for the rising cost, which further promotes the demand for obtaining accurate target three-dimensional (3D) structure information to reduce the possibility of drug failure. Leveraging extensive expertise in structural biology and in silico drug design, Creative Biostructure provides comprehensive target 3D structure analysis solutions.
Structure determination is the process of obtaining the 3D position coordinates of the target molecule by appropriate approaches. Creative Biostructure supports a variety of experimental techniques to determine the structure, such as X-ray crystallography, cryo-electron microscopy, NMR spectroscopy, etc. Our one-stop gene-to-protein and gene-to-structure services have solved many problems in the field of membrane proteins and structural biology for customers from global academia and the pharmaceutical industry.
We have the ability to convert genetic data into protein structures using high-performance computing facilities. Generating structural models of target molecules through computational methods is a powerful supplement to the experimental approach. Computational docking methods are exploited to predict structural information about the interactions of an individual protein with other molecules (e.g. nucleic acids, proteins, and small molecules) to help understand the underlying mechanisms of such interactions. With our extensive experience in protein-ligand computational docking, Creative Biostructure is proud to say that we can successfully predict the affinity and binding patterns of receptors and ligands. In addition to generating static models, we are able to collect information about dynamic properties and predict conformational changes and binding thermodynamics of target molecules over time or under predefined physiological conditions.
Our more than 10 years of experience in structure-based drug discovery and numerous structural biologists ensure that we meet your project needs. Here are some of our capabilities and the advantages of working with us: