MagHelix™: Comprehensive Drug Discovery with Structural Biology and SBDD, Slides of Biology

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Structural Biology Platform

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.

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

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.

Related Sections

Target 3D Structure Analysis

MagHelix™ Library Design and Preparation

Molecular Docking

Molecular Dynamics Simulation

Structure-based Virtual Screening

Hit Biophysical Characterization

MagHelix™ Gene-to-Protein and Gene-to-Structure

MagHelix™ High-throughput Crystallography

MagHelix™ Co-crystallization and Soaking

MagHelix™ CADD Platform