Computer-Aided Drug Design

Computer-aided drug design (CADD) is a process that involves the use of computational tools and techniques (such as molecular docking, molecular dynamics simulations, quantum mechanics calculations, machine learning, and structure-based drug design) to design new drugs or optimize existing ones. This approach allows researchers to predict the interactions between a drug and its target molecule at a molecular level, and optimize the drug's structure to improve its potency, selectivity, and pharmacokinetic properties, which can help in the rational design of more effective and safer drugs. CADD represents a novel direction in pharmaceutical research, and greatly expedite and enhance the drug discovery process. At our company, we use CADD to formulate drug-design strategies that lead to safer and more effective therapies for a wide range of diseases. Our CADD team has deep scientific literacy and years of pharmaceutical industry experience, and has successfully supported several pharmaceutical chemistry projects.

Our Computer-Aided Drug Design Service

Our CADD services leverage an experienced team of scientists and state-of-the-art computational technologies. Our aim is to support researchers by reducing the time and cost associated with drug discovery and development. The services we offer include but are not limited to:

• Structure-based Drug Designs (Based on the knowledge of the three-dimensional structure of the biological target, structure-based designs utilize the molecular interactions native to the biological system to develop new therapeutic agents.): This includes molecular docking, virtual screening, scaffold hopping, de novo design, homology modeling, conformational analysis, QM calculation, free energy perturbation calculation, quantum chemistry calculation, rational design of PROTAC/molecular glue.
• Ligand-based Drug Designs (Ligand-based designs involve building models based on the properties or behavior of known ligands to identify new compounds.): This includes pharmacophore modeling and virtual screening, molecular conformation analysis, quantitative structure-activity relationship (QSAR) analysis, R-group decomposition (RGD), similarity search/clustering, matched pair analysis, and activity cliffs (ACs) analysis.
• ADMET and Druggability Prediction: This includes fast physicochemical properties prediction, and ligand-based or structure-based modeling for hERG and P450 enzymes.
• Others: Such as professional consulting services in computational chemistry.

Why Choose Us?

At our company, we remain dedicated to upholding our applying our deep industry knowledge to drug discovery challenges. Our strong advantages o of CADD services sets us apart.

Experienced Team

We have a well-established team of scientists who hold ample expertise in computer-aided drug design. In addition, our team is consistently updated with the latest technology trends, methods, and algorithms.

Advanced Techniques

We utilize advanced computational techniques, which increases efficiency in identifying potential drug candidates. Our services employ a plethora of methods ranging from database mining to pharmacophore modelling and beyond.

Fast Turnaround Time

Our company is known to provide a fast turnaround of projects without comprising on the quality due to utilization of computational techniques.

Customer-Oriented

At our company, we value client satisfaction supremely. Our services are flexible and can be tailored according to specific customer needs.

Confidentiality

We understand the utmost importance of confidentiality in this field. Thereby, we have strict guidelines and measures to ensure all client data and information is kept secure and confidential.

Contact Us

In the relentless march toward improved therapeutics, CADD is an essential tool for drug discovery. As a competent partner in your research journey, we offer a comprehensive suite of CADD services curated and carried out by seasoned industry experts. We are committed to helping our clients accelerate their drug discovery processes with our top-notch expertise and cross-disciplinary insights. With our company, experience the future of drug discovery today.

It should be noted that our service is only used for research, not for clinical use.