Structure-Based Drug Discovery Service

Structure-Based Drug Discovery Service

Structure-Based Drug Discovery(SBDD) solution represents a comprehensive and highly integrated approach designed to accelerate the discovery process of pre-stage drugs. The solution incorporates multiple specialized product modules unified on an innovative structure-based drug discovery platform. The core content revolves around the following three main directions:

 

(1)Structure-Based drug discovery: Large-scale virtual compound screening from identified targets for rapid discovery of hit compounds.

 

(2)Ligand-Based drug discovery: Starting from the existing drugs or active molecules, the pharmacodynamic characteristic model is constructed through molecular similarity analysis to quickly identify the active molecules.

 

(3)Reverse screening method: Predict potential targets based on existing drugs or active molecules.

 

Figure 1. Structure-Based Drug Design Workflow

The Applications of SBDD

With the advancement of biomolecular structure analysis, the completion of the Human Genome Project, and the development of bioinformatics, a large number of 3D structures of target proteins with therapeutic significance have been analyzed. In particular, breakthroughs in cryo-EM technology have revealed more and more complex protein structures, providing a solid foundation for structure-based drug discovery (SBDD) and accelerating the discovery of new drugs.

 

Compared with traditional drug discovery, SBDD technology integrates cutting-edge achievements from multiple disciplines such as structural biology and computational chemistry. It starts from the known target protein structure and can find pre-drug candidate molecules more quickly, cost-effectively, and efficiently through large-scale virtual compound library screening or small molecule structure design. In addition, SBDD also provides a reverse screening service to predict potential targets or new drug applications based on existing drugs or active small molecules. This approach has been widely used to elucidate the molecular mechanism of action of drugs, to find new indications for drugs, and to detect drug side effects.

 

Why Choose CryoEM-Solutions

1.Protein target structure elucidation

Experts at CryoEM-Solutions are pioneers in researching and applying cryo-EM technology, offering unparalleled advantages in the elucidation of protein target structures.

 

2.Database advantages

CryoEM-Solutions boast multiple computational chemical screening libraries containing druggable molecules, which greatly increases the success rate of discovering active compounds. Additionally, we have curated a specialized target database, encompassing kinases, GPCRs, ion channels, nuclear receptors, and more.

 

3.Algorithmic superiority

Utilizing a multi-level computational approach, CryoEM-Solutions evaluates ligand-receptor interactions with a careful balance between prediction speed and accuracy, to provide customers with multiple options.

 

4.Computing resource efficiency

CryoEM-Solutions operates on a flexible computing platform, fully optimizing computational resources according to user needs for efficiency and cost-effectiveness.

 

5.Laboratory excellence

With professional laboratory resources in synthesis and biology, CryoEM-Solutions offers comprehensive services related to compound synthesis and activity testing.

 

Services at CryoEM-Solutions

1.Free project consultation

2.Expert evaluation

3.Project start-up

4.Project completion and acceptance