GPCR Drug Design

GPCR Drug Design

For Research Use Only. Not For Clinical Use.

Creative Biolabs provides professional services and innovative technologies for drug design to help accelerate drug discovery targeting GPCRs.

Introduction of Drug Design

Drug design, also known as rational drug design, refers to the process of finding new drug molecules on the basis of drug-target interaction. The most basic principle of drug design is that the designed drugs are complementary in shape and charge to the biomolecular target, so as to interact and bind with each other. Drug design involves either an optimization of already available leads or total innovation of lead compounds. It is of great significance for drug design to study the interaction of biologically active compounds from the perspective of molecular structure or physical-chemical properties.

G protein-coupled receptors (GPCRs), the largest class of membrane proteins in eukaryotes, is highly relevant to medicine. They play a central role in a series of physiological critical processes, such as breathing functions, vision, and central nervous system pathways. GPCRs exhibit their role as potential drug targets in the treatment of various diseases. The use of GPCR structures and new biophysical techniques offer new opportunities for discovering new drugs targeting GPCRs.

Figure 1. Diagram of rational drug design for the subtype selective GPCR ligands. (Kim S K & Goddard III W A., 2016)Figure 1. Diagram of rational drug design for the subtype selective GPCR ligands. (Kim S K & Goddard III W A., 2016)

Our Featured Services

We are proud to offer the most robust and reliable services for GPCR drug design. Browse our featured services below or use our online inquiry form to get more information.

  • Computer-Aided Drug Design

    We provide comprehensive computer-aided drug design (CADD) approaches, which involves comparative homology modelling of proteins and different ligand docking techniques to help select promising compounds and reduce the cost of GPCR research.

  • Structure-Based Drug Design

    We provide one-step service for structure-based drug design (SBDD) based on our advanced structure determination platforms. Our services integrate SBDD, computational chemistry, medicinal chemistry and synthetic biology to cut the timeline and cost of drug discovery stage.

  • Ligand-Based Drug Design

    We provide a series of ligand-based drug design (LBDD) tools to facilitate drug discovery in the absence of reliable protein structural information. LBDD is helpful to discover the interaction between ligands and target proteins.

  • Fragment-Based Drug Design

    We provide professional fragment-based drug design (FBDD) services including fragment library design, design and construction of focused libraries, fragment screening, and novel scaffold design. Our scientific team has extensive capabilities in FBDD, as well as in structural biology, computational chemistry and medicinal chemistry.

  • Property-Based Drug Design

    We provide property-based drug design (PBDD) services to optimize drug-like molecules with optimal pharmacokinetics, pharmacodynamics and safety profiles. Our services can also contribute to the successful screening and prioritization of potential GPCR ligands from a large number of compounds.

Creative Biolabs provides our customers with customized knowledge-driven design of drugs targeting GPCRs to meet their specific needs. Our experienced scientific team can offer tailored one-stop solutions in a timely and cost-effective manner to help you achieve your goals.

If you are interested in our services or have any specific needs, please feel free to contact us for more details.


  1. Kim S K & Goddard III W A. Molecular-docking-based drug design and discovery: rational drug design for the subtype selective GPCR ligands. Applied Case Studies and Solutions in Molecular Docking-Based Drug Design. IGI Global, 2016: 158-185.
  2. Andrews S P, et al. Structure‐based and fragment‐based GPCR drug discovery. ChemMedChem, 2014, 9(2): 256-275.