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Veterinary Therapeutic Protein and Peptide Rational Design Service
BioVenic provides veterinary therapeutic protein and peptide rational design services for the discovery and optimization of therapeutic proteins and peptides for livestock, poultry, aquaculture, and companion animals, supporting preclinical veterinary drug development. Our platform covers structural determination (X-ray crystallography, NMR, and cryo-EM), computer-aided design (bioinformatics, machine learning, physics-based simulation, and molecular docking), and modification and optimization via site-directed mutagenesis to engineer candidates with targeted functions and properties. We support end-to-end design workflows—from target structural analysis and variant simulation through precise modification and optimization—delivering comprehensive reports with design rationale, findings, and recommendations.
Rational Design Platform Overview
Up to now, a diverse array of veterinary recombinant proteins and peptides constitutes the majority of approved macromolecule medicines and is used across a wide range of species, including pets, poultry, and livestock. These include cytokines, plasma proteins, enzymes, hormones, antimicrobial peptides, and anticancer peptides. Recombinant technology has become essential for developing novel therapeutic proteins and peptides for animal health. By employing rational design in protein and peptide generation, we can precisely control and confer specific functions, thereby enhancing our understanding of the interplay between protein structure and function. This technology is based on the concept that there are an increasing number of protein structures, biochemical data, reliable models, and computational methods available. To enhance preclinical research services for veterinary protein and peptide drug development, BioVenic offers a ground-breaking rational platform to assist clients in the engineering of therapeutic recombinant proteins and peptides for animals.
Fig.1 The overview of veterinary therapeutic protein and peptide rational design platform. (BioVenic Original)
Structural Determination Services
Rational design starts with a thorough analysis of the target protein-protein interactions, including understanding the 3D structure, active sites, and interaction patterns with other molecules. BioVenic offers a variety of techniques to analyze the structure of target proteins, including X-ray crystallography, nuclear magnetic resonance (NMR) technology, and cryo-electron microscopy (Cryo-EM).
| Description | Services | |
|---|---|---|
| X-rays Crystallography | It is a technique used to determine the three-dimensional structure of proteins and peptides. The sample is first crystallized, and then X-rays are directed at the crystal. By analyzing the diffraction patterns of the X-rays, our team can infer the spatial arrangement of atoms within the molecule. |
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| NMR | NMR spectroscopy uses the magnetic properties of atomic nuclei to study the structure and dynamics of proteins and peptides. NMR can be performed in solution, allowing the investigation of molecular dynamics. |
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| Cryo-EM | Cryo-electron microscopy (Cryo-EM) is a technique used to observe proteins and peptides in a near-native state. Samples are rapidly frozen to preserve their structure and imaged using an electron microscope. The resulting images are used to reconstruct the 3D structure. |
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Computer-Aided Design Services
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Bioinformatics
Bioinformatic tools leverage system knowledge to create protein and peptide libraries more likely to bind specific targets. BioVenic offers sequence libraries and improved processing tools, enabling the development of efficient, user-friendly pipelines. It facilitates the discovery and development of therapeutic proteins and peptides in veterinary medicine. -
Machine Learning
AI is advancing towards integrating molecular recognition across proteins, peptides, nucleic acids, small molecules, and other biomolecules. BioVenic utilizes machine learning to predict peptide-protein interactions and binding residues, improving binding affinity databases and optimizing the rational design of therapeutic proteins and peptides. -
Physics-based Simulation
Physics-based simulations are crucial in rational drug design for peptides and proteins, offering insights into bound states and the associated thermodynamic and kinetic properties. Despite challenges with model accuracy, sampling strategies, and computational costs, these simulations provide valuable data on properties like Kd, Kon, and Koff once the structure is known. BioVenic applies these simulations to address limitations in handling chemical changes and posttranslational modifications, enhancing the development of therapeutic proteins and peptides. -
Docking
In peptide and protein drug development, docking services are integral to rational design. Docking predicts how proteins and peptides, interact with target proteins/small molecules by modeling their binding affinity and orientation within the protein's active site. BioVenic utilizes this technology to forecast the binding affinity between therapeutic proteins/peptides and their targets/receptors. This insight aids in optimizing therapeutic candidates and understanding potential interactions.
Fig.2 The computer-aided design services in veterinary therapeutic protein and peptide rational design platform .1,2
Modification and Optimization Services
- Site-Directed Mutagenesis
Utilizing our structural analysis techniques, we precisely determine which peptide residues are essential and which can be substituted by studying the structure-activity relationship. BioVenic provides the site-directed mutagenesis service, intentionally altering a specific amino acid in the sequence to create variants using quick change PCR, CRISPR/Cas9-directed mutagenesis, and oligonucleotide-directed mutagenesis. By replacing or modifying amino acid residues that contribute less to peptide activity; while retaining key active sites, we enhance the peptide's activity and reduce potential side effects.
- Related Modification Services
BioVenic provides related modification services. The optimization and modification of veterinary therapeutic proteins and peptides is a complex but crucial process. It involves multiple considerations, including enhancing the stability, activity, and specificity of peptides, as well as reducing their immunogenicity and toxicity, thereby making them more effective and safer therapeutic agents.
BioVenic offers more comprehensive services to modify and optimize therapeutic proteins and peptides. For more services, please click the link below to learn more details.
- Veterinary Therapeutic Protein Structure Optimization
- Veterinary Therapeutic Peptide Structure Optimization
Service Workflow
BioVenic provides a specialized rational design platform to discover innovative veterinary therapeutic proteins and peptides, supporting comprehensive service for veterinary drug preclinical research. The workflow begins with consultations to define project goals and contract signing. Structural determination follows, using advanced techniques to elucidate target molecules. Computer-aided design then creates and simulates new variants based on structural data. This is followed by modification and optimization to enhance therapeutic properties. Finally, a comprehensive report detailing the design process, findings, and recommendations is delivered to the client.
Fig.3 The service workflow of veterinary therapeutic protein and peptide rational design platform. (BioVenic Original)
Related Research
Advances in rational computational peptide design are rapidly transforming early-stage therapeutic discovery by integrating bioinformatic space reduction, artificial intelligence (AI)-based structure prediction, and physics-based free energy calculations to target flexible protein surfaces and protein-protein interactions (PPIs). Traditional peptide virtual screening faces severe challenges due to high conformational flexibility and vast sequence search spaces; however, preliminary bioinformatic filtering effectively constrains candidates to manageable libraries of thousands. Neural network architectures, such as modified AlphaFold implementations and specialized structural docking tools like PatchMAN, enable high-accuracy modeling of peptide-receptor interfaces without relying on native structural templates. To overcome the limitations of structural prediction in determining true binding energetics, integrated workflows deploy competitive AI binding assays, specialized fine-tuning on MHC affinity datasets, and enhanced molecular dynamics sampling to estimate thermodynamic and kinetic properties. Together, these unified computational strategies streamline candidate selection prior to experimental validation, expanding the drug design landscape toward previously undruggable target sites.
Fig. 4 Strategies for rational peptide design.1,3
Why Choose Us?
Customized Service
Our rational design is tailored to each client' specific need for veterinary proteins/peptides discovery.
Diverse Structural Analysis Methods
Various technologies aid in a deeper understanding of the binding interfaces of protein-protein interactions.
Flexible Computer-aided Design
We utilize advanced bioinformatics and structural biology technologies, allows for precise design.
Precise Modification and Optimization
We offer precise modification solutions, ensures the successful optimization of veterinary therapeutic proteins and peptides.
Case Study
Researchers used rational design to turn a veterinary lead peptide with the right activity but poor drug-like behaviour into an optimized candidate. Structural and computational analysis pinpointed a few binding "hotspot" residues that carry the activity, while the rest of the sequence contributed little and was free to engineer. By holding the hotspots constant and modifying only the low-contribution positions, the optimized lead kept its binding frame while gaining better predicted stability and lower immunogenic potential—targeted, explainable design instead of random screening.
Fig. 5 Case Study
Frequently Asked Questions
Q: What is the primary objective of your veterinary therapeutic protein and peptide rational design service?
A: Our rational design service aims to improve the stability, binding affinity, and overall therapeutic efficacy of candidate proteins and peptides for animal health applications. By employing advanced bioinformatics and structural biology tools, we optimize molecular properties prior to wet-lab production, significantly reducing downstream development risks. For any specific target species or unique structural optimization requirements, we strongly recommend consulting our technical support team to determine the most suitable computational strategy.
Q: What types of input data or sequence information do I need to provide to initiate this service?
A: To kick off the rational design process, clients typically need to provide the target protein or peptide amino acid sequence, available structural templates (such as PDB files if applicable), and specific project goals like improved half-life or enhanced binding affinity. Additional information regarding the target animal species and intended administration route helps us tailor the structural modifications more effectively. If you only have partial sequence data or need help defining optimal parameters, please consult our technical support staff for professional guidance.
Q: How does rational design integrate with downstream expression and lead optimization?
A: Rational design serves as the crucial bridge between initial molecular discovery and physical expression, allowing us to predict and eliminate unfavorable post-translational modification sites or aggregation-prone regions. The computationally optimized sequences flow seamlessly into our high-yield expression systems and lead optimization pipelines. Because every candidate molecule behaves differently in expression hosts, we suggest discussing your project with our technical support team to map out a cohesive, end-to-end development workflow.
Q: What computational tools and methodologies are utilized during the rational design process?
A: We leverage a comprehensive suite of cutting-edge computational approaches, including homology modeling, molecular dynamics simulations, sequence-structure-function correlation analyses, and epitope mapping tailored for veterinary applications. These in silico techniques allow us to screen vast virtual libraries and pinpoint lead candidates with high precision. If your project involves rare animal species or unique binding mechanisms that require specialized computational modeling, please consult our technical support team to confirm feasibility.
Rational design is a highly specialized method of drug design, relying on a thorough understanding of biomolecular structures and precise molecular design, especially in the field of protein-protein interactions. BioVenic has established a platform for rational design in the discovery of veterinary therapeutic proteins and peptides, applying advanced technology and accumulating extensive experience to support the development of animal health. If you have such needs, please do not hesitate to contact us!
References
- Chang, Liwei, et al. "Towards rational computational peptide design." Frontiers in Bioinformatics 2 (2022): 1046493. https://doi.org/10.3389/fbinf.2022.1046493.
- Image retrieved from Figure 1 "Peptide modeling requires synergy between multiple computational techniques and experiments". Chang, Liwei, et al., 2022. Used under CC BY 4.0. The title was changed to "The computer-aided design services in veterinary therapeutic protein and peptide rational design platform".
- Image retrieved from Figure 2 " Strategies for rational peptide design.". Chang, Liwei, et al., 2022. Used under CC BY 4.0. Without Modification.