Ligand-based drug design (LBDD) refers to drug discovery efforts in the absence of any target structure and in the presence of chemical structures known to modulate the target. Ligand-based drug discovery starts with a single compound or a group of compounds known to be effective against a target, and based on knowledge of the structure-activity relationship (SAR), improves potency and other important properties by designing appropriate analogs. Design can be done by the Topliss method or a simple analog design based on structural similarities or properties. CD ComputaBio now offers professional ligand-based drug design service to meet your research needs.
Figure 1. Process of ligand-based drug design (LBDD).
In the absence of reliable protein structural information, CD ComputaBio is able to apply a range of ligand-based drug design tools to advance the drug discovery process at various stages:
CD ComputaBio provides professional ligand-based drug design service to meet customers' scientific needs. CD ComputaBio relies on world-class technical expertise, we provide customers with the highest quality one-stop ligand-based drug design service, including the development of experimental procedures according to different experimental needs. Please feel free to contact us for more details and our scientists will tailor the most reasonable plan for your project.
We provide ligand-based drug design for both virtual drug screening and reverse targeting:
CD ComputaBio is a high-tech enterprise focused on computational biology. We are committed to providing professional computer-aided drug design solutions. Our business mainly involves: new drug design, molecular dynamics simulation, molecular docking, high-throughput virtual screening, homology modeling, ADMET prediction, etc.