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In the fields of biomedical research and drug development, the accurate identification of targets for peptide drugs is a crucial step in understanding their mechanisms of action and developing new therapies. Leveraging its profound technical expertise in computational biology and drug design, CD ComputaBio offers ligand-based peptide target identification services.
Peptide drugs offer numerous advantages, including high specificity, low immunogenicity, and the potential to target pathogenic molecules. Accurate identification of the targets of peptide drugs is key to the successful design of peptide drugs. By identifying the chemical characteristics, functional groups, and sequence information of peptide ligands and utilizing computational methods such as similarity search and pharmacophore modeling, potential target proteins or receptors can be identified. This helps researchers narrow down the search scope, facilitating further validation and experimentation.
Fig. 1 The concept of ligand-based target prediction. (Yang S Q, et al., 2021)
Traditional methods often encounter challenges in identifying targets, primarily due to high costs and lengthy timeframes. CD ComputaBio is a professional company deeply involved in computational biology, offering ligand-based peptide target identification services using cutting-edge computational technology and expertise.
Data Collection - Gather data relevant to the project, including sequences, structures, and activity data of active peptides, as well as structural, sequence, and biological data of potential targets.
Ligand Feature Extraction - Analyze the peptide ligand sequences and structures provided by the client in detail to determine their key chemical structural features, such as functional groups, chemical bonds, etc.
Target Prediction - Utilize advanced computational biology techniques, such as similarity searching and pharmacophore modeling, to predict potential targets that the active peptides may act upon.
Results Delivery - We will generate a detailed analysis report, clearly presenting the target prediction results, binding mode analysis, and activity prediction outcomes to the client.
Decompose peptide ligands into 3D descriptors to construct pharmacophore models, and predict potential target binding by comparing the similarity of pharmacophores derived from multiple ligands.
Utilize the structural information of known peptide ligands to find structurally similar compounds in online databases, and predict the drug targets of peptide drugs based on the principle that similar structures have the same biological effects.
Analyze the relationship between the structural characteristics of the ligand and its biological activity through mathematical models, and quantitatively compare biological activities to achieve the identification of peptide targets.
CD ComputaBio offers ligand-based peptide target identification services, dedicated to assisting clients in achieving breakthroughs in the field of drug development. If you are interested in our services or wish to further understand how to apply these services to your projects, please feel free to contact us.
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CD ComputaBio offers computation-driven peptide design services to research institutions, pharmaceutical, and biotechnology companies.
