Overview

Pharmacophore modeling and virtual screening are indispensable approaches in the process of identifying novel drug candidates. Pharmacophore modeling is a three-dimensional characterization of the molecular features required for the specific binding of a ligand to a target, while virtual screening is a computational technique used to screen potential drug candidates from large chemical libraries for compliance with pharmacophore models. At CD ComputaBio, we specialize in offering cutting-edge pharmacophore modeling and virtual screening services. Our expert team utilizes advanced computational methods and algorithms to perform detailed analyses of molecular structures.

Our Services

At CD ComputaBio, we offer a range of services to accelerate the process of lead drug discovery and optimization using pharmacodynamic modeling and virtual screening. Our expertise in this area allows us to provide tailored solutions to meet the unique needs of each drug discovery project.

• Pharmacophore Model Generation

Our team specializes in creating high-quality pharmacophore models based on target structures and known ligands to efficiently identify compounds with desired biological activities.

• Virtual Screening Campaigns

Using powerful computational algorithms, we conduct virtual screening campaigns to prioritize compounds from large chemical libraries, saving time and resources in the early stages of drug discovery.

• Expansion and Optimization

We use advanced tools to help with expansion and optimization, refining and expanding the chemical space, and improving the quality of lead compounds.

• Validation Studies

We conduct comprehensive validation studies to ensure the reliability and accuracy of the generated efficacy models and virtual screening results.

Applications

• Drug Discovery: We assist in identifying lead compounds with desired Pharmacophore properties by virtually screening large chemical libraries against relevant target proteins or biological structures.
• Chemical Biology: Our services help to understand ligand-receptor interactions, predict ligand affinity, and design novel molecules with greater receptor selectivity and affinity.

Sample Requirements

To initiate our pharmacophore modeling and virtual screening services, we require the following:

Deliverables

Upon completion of the potency modeling and virtual screening project, the client will receive a comprehensive report with the following deliverables:

Why Choose Us?

• Pharmacophore Modeling

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