Why Computer-Aided Drug Designing Is Important?

Computer aided drug design (CADD) is dedicated to applying various computer simulation techniques to accelerate the drug discovery and design process, and to combine chemical and biological experiments to drive drug development programs more efficiently. Based on physics, structural chemistry, medicinal chemistry, biochemistry, molecular biology and other disciplines, based on the theory of quantum chemistry and molecular mechanics, with the help of computer numerical calculation and logical judgment, develop structure-based drug design, database, graphics, Artificial intelligence and other processing technologies. In the field of ophthalmology, with the help of computer-aided drug design, it is expected to empower the whole process of small molecule drug discovery in ophthalmology and greatly improve the chance of success.

Services Overview

Ace Therapeutics has a dedicated computational chemistry team that can help design ophthalmic small molecule compounds that are likely to bind to their targets and possess the correct molecular and physical properties to ultimately demonstrate good bioavailability, significantly enhancing drug discovery projects s efficiency.

Our computer aided drug design (CADD) team supports drug discovery projects, from hit identification to lead optimization. We provide high-throughput screening (HTS) support, structure and ligand-based services, and molecular dynamics, providing an excellent starting point for hit-lead chemistry.

Notably, Ace Therapeutics' proprietary virtual screening platform enables the rapid and cost-effective identification of potential chemical starting points for your drug discovery program. The platform can be used for protein structure-based or ligand-based models. When protein structure data is not available for your target, Ace Therapeutics may construct homology models for drug design purposes.

Our Skills and Expertise

• Structure-based drug design: including molecular docking, high-throughput virtual screening, new drug design, homology modeling, conformation analysis, quantitative calculation and other experimental services.
• Ligand-based drug design: including pharmacophore establishment, QSAR establishment and analysis, similarity search/clustering, R group decomposition, pairing analysis, potency cliff analysis, etc.
• Fragment-based drug design: quickly identify high-quality fragment hits, and design compound arrays to explore potential protein-ligand interactions to develop fragment hits into more effective compounds.
• Virtual screening.
• Protein modeling.
• Chemistry and bioinformatics consulting.

Service Advantages

• High drug design hit rate, high success rate, relatively low R&D cost, and short R&D cycle.
• Support a variety of chemical software.
• Experienced team.

Ace Therapeutics provides comprehensive and systematic computer-aided drug design services to global customers. Our expert team can tailor solutions according to your disease targets to support the development of your ophthalmic small molecule projects.If you are interested in our services or need more detailed information, please feel free to contact us. Our experienced scientists are ready to help you!

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