WuXi Biologics
Offering End-to-End Solutions
Research Chemistry
Services
Computer-Aided Drug Design
Computer-Aided Drug Design Service Highlights
Research Chemsitry Services Computer-Aided Drug Design (CADD) platform provides services for the rapid assessment of chemical entities to guide and speed up the early-stage drug discovery process.
- Integrated Service for Drug Discovery
- Virtual Screening
- Structure-Based Drug Design
- Ligand-Based Drug Design
Integrated Service for Drug Discovery
The CADD platform provides integrated drug discovery services from Hit ID to IND stage using CADD techniques and in-house AI/ML tools. The typical milestones of CADD service include: target validation, hit identification, Hit to Lead, lead optimization and etc.
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Virtual Screening
Our virtual screening services leverage advanced computational approaches to rapidly and cost-effectively identify potential hit molecules from our extensive compound libraries.
Approaches:
- Docking-based screening
- Pharmacophore-based screening
- Shape-based screening
- Fingerprint-based screening
Libraries:
- WuXi HTS set (300K compounds)
- Mcule Purchasable (8.8M compounds)
- WuXi virtual space (15B compounds)
- Enamine REAL virtual space (3.4B compounds)
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Structure-Based Drug Design
Structure-Based drug design is the design and optimization of a chemical structure, based on available target protein information, with the goal of identifying compounds suitable for biological testing, leading to a drug candidate.
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Ligand-Based Drug Design
Providing crucial insights into the nature of drug-target interactions and predictive models suitable for lead compound optimization in the absence of 3D structures of potential drug targets.
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