Structure-based Drug Design (SBDD) Service
Structure-based drug design (SBDD) is a computational approach that leverages the three-dimensional (3D) structure of biological targets to design and optimize drug candidates. By understanding the atomic-level interactions between ligand and receptor, this method enables the rational design of compounds with high specificity, affinity, and therapeutic efficacy. At CD ComputaBio, advanced computational tools and algorithms are employed to deliver cutting-edge SBDD services
Introduction to Structure-based Drug Design
Structure-based drug design is a cornerstone of modern drug discovery, relying on the precise knowledge of a target protein's 3D structure. By analyzing binding sites, hydrogen bonds, hydrophobic interactions, and other molecular forces, SBDD allows for the optimization of drug candidates to improve binding affinity, selectivity, and pharmacokinetic properties. The integration of computational biology, bioinformatics, and cheminformatics has revolutionized SBDD, enabling the rapid identification of lead compounds and reducing the time and cost associated with traditional drug discovery.
Figure 1. Structure-based Drug Design.
Our Services
To address the diverse needs of drug discovery and development, a comprehensive suite of computational structure-based drug design services is offered. These services are designed to support researchers and pharmaceutical companies in identifying and optimizing drug candidates with high precision and efficiency.
Workflow of Structure-based Drug Design
Binding Site Identification: Use homology modeling or other methods to determine the three-dimensional structure of the target protein and identify its interaction partners.
Rational Drug Design: Collect data on known drug-receptor interactions, build a machine learning model that considers interface features, and generate peptide sequences based on the trained model.
Binding Affinity Prediction: Use docking tools or artificial intelligence-based methods to predict the binding mode and affinity of candidate drugs to the target.
Candidate Drug Selection: Use computational methods to predict the kinetic and thermodynamic properties of candidate drugs, and select drugs with high binding affinity and favorable properties for experimental verification.
Applications of Structure-based Drug Design (SBDD)
The structure-based drug designs offered by CD ComputaBio are applicable to a wide range of areas and drug development stages. Below are the key applications of these services:
Our Advantages
Advanced Computational Tools
Cutting-edge software and algorithms for molecular modeling, docking, and dynamics simulations.
Expert Team
A team of computational biologists, chemists, and data scientists with extensive experience in drug design.
Custom Solutions
Tailored services to meet the specific needs of each project, from target identification to lead optimization.
At CD ComputaBio, a comprehensive suite of computational SBDD services is offered, covering small molecules, antibodies, ADCs, proteins, PROTACs, peptides, and nucleic acids. These services are supported by advanced computational tools, a highly skilled team, and a commitment to delivering customized solutions for drug discovery and development. If you are interested in our services or have any questions, please feel free to contact us.
* For Research Use Only.
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