Creative Biostructure is the leading-service provider for novel drug design and early-phase compound development programs. The field of Structure-Based Drug Design (SBDD) has rapidly grown up and developed. The explosion of genomic, proteomic, and structural information provides hundreds of new targets and opportunities for future drug lead discovery. With the latest computational clusters and software, our seasoned scientists guarantee excellent services in all aspects of molecular modeling.
Creative Biostructure provides MagHelix™ virtual screening, pharmacophore modeling, lead optimization and the absorption, distribution, metabolism, excretion and toxicity (ADMET) analysis using our unparalleled acknowledgement, equipment and technology. Nowadays, with powerful High-Performance Computing (HPC) clusters, massive virtual screening has become ever more feasible and affordable. Therefore, we are confident to accelerate your drug discovery process and computational chemistry projects.
Figure 1. The process of structure-based drug design.
The process of structure-based drug design is an iterative mechanism and often proceeds through multiple cycles before an optimized lead goes into phase I clinical trial. The first cycle includes cloning, expression, purification and structure determination of the target protein or nucleic acid by either of the following principal methods: X-ray crystallography, NMR, EM or homology modeling. After several cycles of the drug design process, the optimized compounds usually show marked improvement in binding and often, specificity for the target.
General processes of structure-based drug design:
Some of our in silico resources are described as below:
Hardware: Super high-performance computer clusters with total 58 blades and 716 cores capable of screening more than 1 million compounds in 10 days;
Databases: Virtual compound database with more than 2 million unique compounds, including ZINC, MDDR, ACD, NCI, etc.;
In-House Databases: Drug Information system.
Creative Biostructure offers the following MagHelix™ drug design services to meet your requirements:
Fragment-Based Drug Discovery (FBDD)
Lead Discovery and Optimization
Please feel free to contact us to discuss your project!