PROTAC Drug Development Services
At CD ComputaBio, we merge computational modeling, machine learning, and medicinal chemistry to accelerate PROTAC drug discovery, a groundbreaking approach in the field of precision medicine. PROTACs represent a transformative class of therapeutics that harness the body's natural protein degradation machinery to target specific disease-causing proteins. By utilizing our state-of-the-art CADD platform, we provide comprehensive solutions for pharmaceutical companies, biotechnology firms, and research institutes seeking to develop novel PROTAC-based therapies with enhanced efficacy and reduced side effects.
Introduction of PROTAC Drug Development Services
PROTACs operate on the principle of inducing the ubiquitin-proteasome system to degrade disease-causing proteins, offering a unique mechanism of action that traditional small molecule inhibitors or antibodies cannot match. These bifunctional molecules consist of a ligand that binds to the target protein and a ligand that recruits E3 ligases, facilitating the targeted degradation of the protein of interest. This novel approach holds immense promise for tackling diseases characterized by undruggable targets or resistance to conventional therapies, ushering in a new era of precision medicine tailored to individual patient needs.
Figure 1. PROTAC Drug Development.
Our Service
PROTAC Structure Modification Services
Our PROTAC structure modification services encompass detailed computational analysis and design strategies to enhance the efficacy and selectivity of PROTAC molecules. By incorporating structural insights and predictive modeling, we optimize PROTAC structures for improved target engagement and proteasomal degradation.
Ligand Screening for E3 Ligases
Through advanced virtual screening methods and molecular docking simulations, we identify high-affinity ligands targeting E3 ligases critical for PROTAC-mediated protein degradation. Our screening process narrows down potential ligands with optimal binding characteristics, facilitating the selection of candidates with enhanced biological activity.
Ligand Design and Optimization
Utilizing rational design approaches and computational algorithms, we custom-tailor ligands to meet specific requirements for PROTAC design. Our ligand optimization services focus on enhancing binding affinity, solubility, and pharmacokinetic properties, ensuring the development of potent PROTAC molecules with favorable drug-like properties.
PROTAC Structure Modification
Our PROTAC structure modification services encompass iterative refinement and optimization of PROTAC scaffolds based on computational insights and structure-activity relationships. By fine-tuning key structural elements, we aim to enhance the overall efficacy and specificity of PROTACs, enabling targeted protein degradation with improved therapeutic outcomes.
The process of PROTAC Drug Development Services
Project Design - We initiate each project with a thorough consultation to understand your specific requirements and goals.
01
Modeling and Design - Leveraging advanced computational tools and software platforms, we conduct molecular modeling, virtual screening, and structure-based design to predict PROTAC-target interactions.
02
Validation and Optimization - Following virtual screening and ligand design, we validate candidate PROTAC molecules through in silico assays and predictive modeling to assess their specificity.
03
Approach to PROTAC Drug Development Services
Structure-Based Drug Design
We employ a structure-based approach to PROTAC development, utilizing crystallographic data and computational modeling to elucidate protein-ligand interactions and guide the design of potent PROTAC molecules.
Virtual Screening
Our virtual screening methods involve screening large compound libraries against E3 ligase targets to identify potential ligands with optimal binding affinity and specificity for PROTAC design.
Pharmacophore Modeling
By generating pharmacophore models based on target structures and binding sites, we characterize key molecular features essential for ligand recognition and optimize ligand design for PROTAC development.
Advantages of Our Services
Expertise and Experience
Our team of computational chemists and drug design experts possess extensive experience in PROTAC development and structural biology, ensuring high-quality services tailored to your specific needs.
Cutting-Edge Technologies
We leverage the latest computational tools and software for molecular modeling, virtual screening, and structure-based design, enabling precise optimization and validation of PROTAC molecules.
Customized Solutions
Each project at CD ComputaBio is approached with a bespoke strategy, customized to address the unique challenges and requirements of PROTAC drug development, ensuring targeted and efficient solutions.
CD ComputaBio is a leading provider of PROTAC drug development services, offering a comprehensive range of computational and experimental approaches to support our clients in the discovery and optimization of novel PROTAC molecules. Through our innovative and customized services, we enable the rapid and efficient development of PROTAC therapeutics with the potential to revolutionize the treatment of various diseases. Contact us today to learn more about our PROTAC drug development services and how we can help accelerate your drug discovery efforts.
References:
- Sun X, Gao H, Yang Y, et al. PROTACs: great opportunities for academia and industry. Signal transduction and targeted therapy, 2019, 4(1): 64.
- Pei H, Peng Y, Zhao Q, et al. Small molecule PROTACs: an emerging technology for targeted therapy in drug discovery. RSC advances, 2019, 9(30): 16967-16976.
- Setia N, Almuqdadi H T A, Abid M. Journey of von hippel-lindau (VHL) E3 ligase in PROTACs design: From VHL ligands to VHL-based degraders. European Journal of Medicinal Chemistry, 2023: 116041.
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