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Are you seeking customized peptide sidechain modification to enhance your drug development? CD ComputaBio specializes in providing peptide sidechain modification services, offering solutions for the optimization of peptide drugs. We understand the critical role of modification in enhancing peptide therapeutics. Our expert team with extensive experience is dedicated to optimizing your peptides, improving their stability, enhancing their activity, and enabling targeted delivery.
In addition to modifications to the peptide backbone, peptide side-chain modifications can improve the drug-like properties of peptide molecules by introducing side-chain groups to optimize the structure and performance of the peptide. For example, fatty acid modification can extend the half-life of the peptide, while protein fusion strategies and cholesterol modification can enhance the pharmacodynamic stability of the peptide. These modification strategies provide a diverse range of options for the development of peptide drugs.
Fig.1 Semaglutide modified with fatty acid. (Mahapatra M K, et al., 2022)
Liraglutide's lysine residue is modified with a palmitic acid side chain via a γGlu linker, extending its systemic half-life by enhancing albumin binding and reducing renal clearance.
Semaglutide's lysine residue is acylated for attachment with a C18 fatty diacid through a hydrophilic linker 'γGlu-2xOEG', a more complex modification that further enhances semaglutide's capacity for albumin binding and reduces its susceptibility to enzymatic degradation.
Dulaglutide is a fusion protein that connects two GLP-1 molecules with IgG4 (Fc), a design that increases the drug's molecular weight and reduces renal clearance, thereby prolonging its duration of action.
Tirzepatide's lysine residue is attached with a C20 fatty diacid side chain through a hydrophilic linker (γ-glutamic acid and two ethylene glycol units), and amino acid substitutions have been made to further enhance its binding affinity to GIP and GLP-1 receptors.
CD ComputaBio, with its advanced technology platform and extensive industry experience, is dedicated to providing high-quality peptide side-chain modification services to researchers worldwide. Our services encompass a wide range of modification strategies, including but not limited to:
| Fatty Acid Modification | Peptides are modified by attaching fatty acids to the side chains of lysine or other amino acids, which extends the peptide's half-life in vivo. |
| Polyethylene Glycol (PEG) Modification | CD ComputaBio improves the pharmacokinetic properties of peptides by attaching PEG chains to specific groups on the peptide. |
| Glycosylation Modification | We enhance the stability and bioactivity of peptides by introducing sugar groups onto serine or threonine residues of the peptide. |
| Phosphorylation Modification | Regulating the bioactivity and intracellular signaling of peptides is accomplished by introducing phosphate groups onto tyrosine, threonine, or serine residues. |
| Alkylation Modification | CD ComputaBio alters the physicochemical properties of peptides by introducing alkyl groups to the peptide side chains. |
| Halogenation Modification | The lipophilicity of peptide molecules is increased by introducing halogen atoms (such as chlorine or bromine) onto the peptide side chains. |
Molecular Docking
Predicting binding modes and binding affinities between modified peptides and target molecules, screening for potentially effective modification strategies.
Molecular Dynamics Simulation
Investigating the dynamic interactions between modified peptides and targets (such as proteins, membranes), analyzing the effects of side chain modifications on the overall conformation, flexibility, and stability of the peptide.
Binding Free Energy Calculation
Estimating binding free energy through MM-PBSA/GBSA, rapidly assessing the impact of modifications on affinity; calculating free energy changes caused by modifications with high precision through free energy perturbation (FEP) and thermodynamic integration (TI).
If you are interested in CD ComputaBio's peptide side-chain modification services, or have any questions and customization needs, please feel free to contact us at any time. Our professional team will provide you with detailed consultation services to help you choose the appropriate modification plan.
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CD ComputaBio offers computation-driven peptide design services to research institutions, pharmaceutical, and biotechnology companies.
