We provide drug candidate discovery services through our in
silico high throughput screening
system
Services
Target Identification
Library Development and Chemical Synthesis
· Establishing ZINC database (>1 billion)
· Establishing a drug-like compound and natural product database
High-throughput screening
· High-throughput virtual screening
· Expanding evolutionary library using A.I.
Lead Optimization
· Designing drugs using Structure Activity Relationships (SAR)
· Analyzing Protein-Chemical Stabilization by Molecular Dynamics (MD)
· Designing Structure Based Drug Discovery (SBDD) through binding mode analysis
with X-ray crystallography
In silico high throughput screening is a technology that predicts
compound
efficacy through a
virtual mass screening. Through this system, you can secure numerous lead compounds in a
short amount of time. The secured lead
compounds will become candidates through optimization. They can be proceeded to clinical
trials. At Curogen, we provide
services for securing drug candidates with the following procedures.
1. Selecting protein targets
· We calculate protein structures through Alphafold2 and X-ray crystallography
2. Establishing libraries
· We secure various compounds and establish libraries such as ZINC 15 and ZINC
20 for high throughput screenings
· We establish a virtual library for Fragment Based Drug Design (FBDD) to
predict FBDD results
3. In silico High-throughput screen
· Various analyses are made on docking results including docking scores, MD
simulations, and pharmacophore analyses
· We provide hit extension possibilities
· Drug designs are made with FDA proven substances and a natural substance
library
4. Lead optimization
· We design SAR (Structure Activity Relationship) with data-based activity
results
· We then pre-calculate hit-to-lead verification in
silico before in vitro
studies with MD simulations
· Time and costs are saved through our in silico
toxicity calculation
*Contact info: Curogen HTS Center, +82-31-299-6158, curogenhts@curogen.co.kr
