MagHelix™ Structural Biology and SBDD Platform

Structure-based drug design (SBDD) is an approach of drug design based on molecular recognition, starting from the three-dimensional (3D) structure of ligands and targets. In this drug discovery strategy, the 3D structure of the target is crucial, which can be obtained by structural biology techniques or homology modeling, and then study the interaction mode of the ligand and the receptor via experimental or computational methods. On this basis, rational drug design is carried out.

Structure-guided compound screening strategy using VEGF-VEGFR binding pockets.  Figure 1. Structure-guided compound screening strategy using VEGF-VEGFR binding pockets.

MagHelix™ Structural Biology and SBDD Platform provides a wide range of solutions for customers with drug discovery requirements worldwide, including but not limited to target structure preparation, ligand library design and preparation, molecular docking and scoring functions, molecular dynamics simulation, structure-based virtual screening, as well as determination of target-ligand complex binding pattern.

Creative Biostructure’s platform covers all the mainstream technologies needed to successfully determine the 3D structure of biological macromolecules. Relying on this platform, we can provide a one-stop gene-to-protein and gene-to-structure solution. Over the past decades, we have accumulated a wealth of experience in structural analysis of receptors, enzymes, ion channels, antigens, viruses, and other targets. Listed below are some of our resources and platform equipment for structure determination.

Capabilities Resources and Equipment
Recombinant Protein Production
  • All commercially available vectors for construct design
  • Various purification tags (e.g. GST, His, MBP, Flag, SUMO tags)
  • Various inserts involving hot drug targets (e.g. GPCR, kinases, and epigenetic targets)
  • High-performance protein expression systems (e.g. bacterial, yeast, baculovirus, and mammalian system)
  • AKTA FPLC Systems
  • AKTA Avant FPLC Systems
  • LC/MS (TOF) equipment
X-ray Crystallography
  • X-ray diffractometers
  • Nano-liter crystallization robots
  • High-throughput liquid handling robots
  • Rigaku CrystalMation™ coupled with Rigaku Minstrel™ HT UV for crystal incubation and imaging
  • Access to synchrotron radiation facilities
Cryo-EM Technology
  • Transmission Electron Microscope (JEOL JEM-2200FS)
  • Vitrobot (FEI) System
  • Vacuum Evaporator (JEOL JEE-4B)
  • Access to high-quality Cryo-EM facilities
Protein NMR Spectroscopy
  • Bruker AVANCE 900 MHz Spectrometer
  • Bruker AVANCE III 600 MHz-HD
  • Bruker AVANCE III-NanoBay

Our high-throughput crystallography service supports the rapid determination of multiple target-ligand crystal structures, which is suitable for commercial drug discovery programs. In addition, the high-throughput crystallographic technique can be applied to crystallography solutions for target-ligand complex structural information obtained by co-crystallization and soaking. Relying on the established computer-aided drug design (CADD) platform, high-performance computers, professional software tools and databases support compound screening and optimization based on molecular docking strategy.

According to specific projects, to obtain high-resolution structures, we support the combinational application of X-ray crystallography, Cryo-EM, and NMR spectroscopy. Creative Biostructure welcomes industrial and academic researchers from all over the world with drug discovery needs to use our MagHelix™ Structural Biology and SBDD Platform for drug discovery projects.

Reference

  1. Villoutreix B O.; et al. In silico approaches assisting the rational design of low molecular weight protein-protein interaction modulators. In Silico Drug Discovery and Design. CRC Press, 2015: 458-499.

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