Human epidermal growth factor receptor 1 (HER1) is a receptor tyrosine-protein kinase belonging to the human epidermal growth factor receptor (EGF receptor) family. Like HER2, activated HER1 stimulates cell proliferation through the RAS-MAP kinase pathway while inhibiting apoptosis through the mTOR signaling pathway. The HER1 protein is involved in cell signaling pathways that control cell division and survival. Sometimes, mutations in the EGFR gene cause certain types of cancer cells to produce higher than normal amounts of the HER1 protein. It causes cancer cells to divide faster. Drugs that block the HER1 protein are used to treat certain types of cancer.
Our Services
- Target Analysis
A treasure trove of in silico tools for protein analysis. The understanding and regeneration of protein function require an understanding of the dependencies between the protein sequence and its structure, its localization in the cell, and its interactions with other functional partners.
- Protein modeling / homology modeling
- Molecular docking
- Molecular dynamics simulation
- Hit identification
Our hit confirmation rate and plate failure rate are consistently better than the industry average. CD ComputaBio provides the following services at the hit identification stage.
- DNA-encoded compound library screening service
- Fragment-based drug discovery service
- Virtual screening service
- Nucleic acid-related chemistry service
- Analytical chemistry service
- Lead optimization
Lead optimization in drug discovery is the optimization of the deficient properties while maintaining some of the good properties of the lead. CD ComputaBio can provide various services such as medicinal chemical research, computational chemistry, AI-aided design, and project DEL.
- Drug-Drug Interaction Prediction
We offer drug-drug Interactions (DDIs) prediction that allows you to predict mechanical and static DDIs between drugs and metabolites. The ability to accurately estimate potential DDI in a computer has several benefits for clients:
- Explore possible effects on drug pharmacology and toxicology
- Identify species-specific changes to estimate drug performance in animals and humans
- Investigate the safety of drugs
Our Capabilities
Based on our intelligent drug discovery R&D platform, we provide one-stop drug discovery services targeting HER1 for pharmaceutical companies. In addition to providing R&D services, we also establish drug discovery cooperation with pharmaceutical companies. Through our industry-leading, AI-driven drug R&D capabilities and professional experience, we help customers and partners effectively solve difficult problems in drug discovery and development. It achieves speed and scale unmatched by traditional trial and error methods.
Our Lead Optimization Strategies
- In Silico Tools
Lead optimization typically requires the synthesis of hundreds of compounds over several years until the desired pharmacological characteristics, such as affinity, safety, pharmacokinetics, and ADME, are achieved. Computer 3-D models and virtual ADME profiles are especially important, as they help reveal what to synthesize and, just as importantly, what not to synthesize.
- Intelligent Design
Combining smart design and combinatorial synthesis of libraries could provide a more efficient pathway for drug discovery and lead optimization. The best practice in library synthesis today is to determine which compounds should be synthesized, not what can be synthesized. At the heart of this high-quality smart library, the trend is the link between library design and specific biological goals.
* For Research Use Only.
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