AI-based Peptide Drug Discovery and Structure Analysis Platform

* Please kindly note that our products and services can only be used to support research purposes (Not for clinical use).

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Creative Peptides is a cutting-edge biopharmaceutical company focused on using artificial intelligence (AI) technologies to accelerate the discovery and development of peptide drugs. Through our AI platform, we provide efficient and precise peptide drug discovery and structural analysis services to biopharmaceutical companies and scientific research institutions around the world.

Peptide drugs, as a kind of therapy that depends on amino acid sequence and structure to show its unique pharmacological activity, have shown broad application potential and prospect in the treatment of cancer, diabetes and many kinds of autoimmune diseases. However, because these molecules are often complex in structure and compact in size, their development and structural analysis pose an ongoing scientific challenge. In recent years, the breakthrough of AI technology in this field has brought new perspectives and tools for the exploration and structural analysis of peptide drugs, and effectively promoted the forefront of research.

In particular, the AI-based peptide drug discovery and structural analysis platform integrates the most cutting-edge artificial intelligence algorithms, big data analysis capabilities, deep insights of computational chemistry and the essence of structural biology to build a powerful and accurate innovation system, which greatly promotes the efficiency and accuracy of peptide drug research and development. This platform not only represents a revolution in the field of new drug discovery, but also opens up new boundaries for the application of peptide drugs.

Benefits of AI-based drug discovery and structural analysis platform

Accelerate research and development cycle

Through the efficient computing power of AI technology, it can quickly analyze massive structural information, reduce the cycle from theoretical conception to experimental verification, especially when performing high-throughput screening and complex data analysis tasks, significantly improving the speed of research and drug discovery.

Enhanced prediction accuracy and reliability

Thanks to the ability of AI algorithms to learn from large data sets, it can provide more accurate prediction results, including prediction of three-dimensional structure of proteins and evaluation of interactions between drug molecules and targets, thus guiding experimental design towards higher specificity and success rate.

Optimization of molecular design and efficacy

The combination of AI and structural analysis makes drug design more accurate, and key properties such as the geometry and electrical distribution of drug molecules can be fine-tuned according to the specific structure of the target protein, ensuring the efficiency and specificity of the drug, while minimizing the occurrence of side effects.

Increased cost effectiveness

In the initial stage of drug development, the intervention of AI can predict key indicators such as the activity and safety characteristics of compounds, effectively filter out inefficient or harmful candidate molecules, greatly reduce unnecessary experimental and synthetic steps, and control the overall cost of research and development.

Realizing the vision of precision drug

AI-based platforms can deeply analyze the nuances of the interaction between peptides and targets, driving the design of highly specific and strong affinity drugs, reducing the risk of side effects during treatment, and advancing the practice of personalized drug.

Potential applications of the platform

Intelligent advancement of peptide vaccine design

At the scientific frontier of peptide vaccine design, AI platforms play a central role in pinpointing the most promising peptide sequences through in-depth analysis of antigenic determinants on the surface of viruses or bacteria as a key component of vaccine design. In response to the challenge of frequent mutation of influenza viruses, the platform is able to quickly identify cross-subtype peptide sequences with broad protective effects, so as to design a broad-spectrum influenza vaccine for the future. Combined with high-precision structural analysis techniques to ensure that the designed peptides can precisely bind to T cell antigen receptors, preclinical studies have demonstrated that such strategies not only stimulate a strong immune response, but also demonstrate a high level of safety.

Innovative development of multi-target tumor therapeutics

The AI platform opens up new paths in tumor therapeutic drug development, rapidly designing peptide drugs that target multiple signaling pathways through structural and functional analysis of a large number of cancer-related targets. These drug design strategies aim to simultaneously interfere with multiple key processes such as tumor cell proliferation, migration and neovascularization, greatly inhibit tumor growth, and effectively address the limitations and drug resistance of single-target therapy. Through detailed structural analysis, we can deeply understand the binding mechanism of these peptides with multiple therapeutic targets, and lay a solid theoretical and empirical foundation for preclinical research.

Personalized peptide therapy in precision drug

Under the framework of precision drug, AI technology is based on the individual genomic information of patients to custom-design peptide drugs specifically for specific genetic variants. For example, for patients with a specific breast cancer mutation, the platform is able to design peptides that are highly matched to the mutant protein, achieving a high degree of precision in treatment and minimizing the impact on healthy tissue.

Our comprehensive technical service

High-precision structure analysis services

Using cutting-edge technologies such as X-ray crystallography, nuclear magnetic resonance (NMR) and cryo-electron microscopy (Cryo-EM) to provide atomic level structure analysis of peptides and their complexes, Cryo-EM technology can reach 3Å or higher resolution to capture the true structure of peptides in the physiological state.

Structure database construction and homologous modeling

To establish detailed structure database of specific targets, supplemented by homologous modeling technology to predict unknown structures, and broaden the scope of structural information utilization.

Comprehensive data integration and deep processing

Use big data technology to integrate peptide sequence, biological activity, structure and clinical trial data, and use AI algorithms for efficient cleaning, integration and advanced analysis, providing rich and reliable data resources for drug design.

Peptide structure prediction and sequence optimization

Using machine learning models to predict the high-level structure of peptides and learn patterns from a database of known structures, optimize the stability and drugability of new sequences, including improving their solubility, reducing the tendency to deamidation, and enhancing cell penetration.

Accurate assessment of target affinity

AI is applied to predict drug target affinity and quickly target peptide candidate molecules that are closely bound to disease targets to improve screening efficiency and accuracy.

Interaction simulation and potency prediction

Combining a variety of structural analysis techniques, AI models simulate the interaction of peptides with receptors or other biomolecules, accurately predicting binding patterns and potency, deepening understanding of biological activity and guiding design optimization.

Prospective prediction of ADME/T properties

Use the AI platform to pre-evaluate the pharmacokinetic and toxicological properties of peptides, eliminate potential problem candidates early, and improve the success rate of clinical trials.

High throughput screening and closed loop of dry and wet experiments

Combining virtual screening and high throughput experimental technologies of AI, promising peptide sequences can be quickly screened from a large number of candidates, achieving a fast cycle from computational design to laboratory verification.

Enhanced mass spectrometry

Combined with high-resolution mass spectrometry technology, AI technology helps to confirm the structure and impurity analysis of peptide drugs, accelerate the quality control and characterization process, and ensure efficient and accurate drug development.


1. What is peptide structure analysis?

Peptide structure analysis is to determine the three-dimensional structure of peptide by various technical means. This includes identifying its amino acid sequence, secondary structure (such as alpha helix and beta fold), tertiary structure (overall three-dimensional configuration), and quaternary structure (a complex of multiple peptide chains).

2. How does your platform use AI for peptide structure analysis?

Our platform utilizes advanced AI algorithms and deep learning models, combined with existing experimental data and literature, to predict and parse the structure of peptides. By training the model to recognize specific sequence patterns and structural relationships, we can efficiently and accurately predict the three-dimensional configuration of peptides.

3. What are the advantages of your AI platform over traditional structural analysis methods?

  • AI models are able to process large amounts of data quickly, faster than traditional experimental methods such as X-ray crystallography or nuclear magnetic resonance.
  • Reduced reliance on expensive lab equipment and time-consuming lab steps.
  • Through continuous optimization and learning, AI models can provide accuracy comparable to or even higher than experimental methods.

4. What types of peptides can your platform parse?

Our platform is capable of resolving many types of peptides, including short-chain peptides, cyclic peptides, and complex peptide-protein complexes. We are particularly good at dealing with peptide structures that are difficult to resolve with traditional methods.

5. What data do I need to provide to use your platform for peptide structure analysis?

The customer usually needs to provide the amino acid sequence of the peptide. If there is existing experimental data (such as mass spectrometry data, NMR data, etc.), it can also be provided to enhance the prediction accuracy of the model.

6. How accurate is the analysis result?

Our AI platform is rigorously verified and tested, and the accuracy of analytic results is at the leading level in the industry. We have worked with a number of scientific research institutions and pharmaceutical companies to prove the high reliability of our platform through multiple cross-validation and practical applications.

* Please kindly note that our products and services can only be used to support research purposes (Not for clinical use).
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