The multidisciplinary subject of medicinal chemistry focuses on creating new medications for the treatment of diseases by designing and manufacturing molecules for optimization. Our company provides top-tier chemistry services for drug discovery, backed by our gifted scientists and cutting-edge facilities. We will collaborate closely with your medicinal chemistry team and bring to bear our significant knowledge of structure-based drug creation across a range of therapeutic areas.
Service Overview

Our company has successfully found a number of preclinical therapeutic candidates through the completion of numerous drug discovery collaborations with both domestic and foreign customers. In order to optimize the discovery process, our medicinal chemistry team can address a wide range of problems, including those involving potency, selectivity, off-target activity, physicochemical qualities, as well as drug metabolism and pharmacokinetics (DMPK)-related problems. They have honed their skills in a variety of therapeutic fields, such as oncology, metabolic disorders, inflammation, and the central nervous system, among others.
We can provide the following medicinal chemistry services to our customers.
Research Capabilities
Virtual Screening
Our company's virtual screening process begins with preliminary screening using a range of techniques, including 2D, 3D, structure-based, and ligand-based methods, and is then followed by the analysis of hits per screen, integration, and use of data fusion techniques to guarantee and enhance hit enrichment.
Fragment-Based Drug Discovery
Our company performs tests based on surface plasmon resonance (SPR) to find fragments that bind to specific targets. X-ray crystallography and nuclear magnetic resonance (NMR) investigations can create complexes of targets and fragments; alternatively, computational calculations can be made by docking fragments into protein structures or homology models.
Ligand-Based Drug Discovery
Our company manages ligand-based drug discovery initiatives using the Schrodinger software suite and Spark, Cresset's scaffold jumping tool. In addition, a variety of machine learning (ML) algorithms are used by our computational chemistry team to create ML-based models, such as regression and classification models.

Technology Platform
Our company has established the proteolysis targeting chimera drug discovery technology platform, summarizing currently popular target protein ligands, an extensive library of popular target protein high-affinity small molecule and small molecule fragment compounds, and a broad range of E3 ligases with high affinity.
Overall Solutions
Project Name | Medicinal Chemistry Service |
Service Details | - Design and synthesis of novel chemical entities in drug discovery programs, such as target hit, hit lead, and lead optimization SAR studies.
- Design of new chemical entities.
- Design of compounds for biological analysis.
- Structure directed design in drug discovery programs.
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Deliverables | Original images and raw data. A complete experimental report, including experimental materials, experimental procedures, and experimental results. |
Cycle | Decide according to your needs. |
If you want to know more about service details, please feel free to contact us.
Related Services
It should be noted that our service is only used for research, not for clinical use.