Computer-Aided Drug Discovery
Computer-aided drug design (CADD) is a widely used technology using computational tools and resources for the storage, management, analysis and modeling of compounds. It relies on digital repositories for the study of designing compounds with physicochemical characteristics, predicting whether a given molecule will be combined with the target, and if so how strongly. Computer-based methods can help us to search new hits in drug discovery, screening many irrelevant compounds at the same time and study the structure-activity relationship of drug molecules.
The advantages of CADD The traditional strategies for discovering new drug usually begin with taking a lead structure, and then develop a chemical program to find an analog molecule which can exhibit the desired biological properties. The process often involved a long cycle and a large number of experiments, in which medical chemist utilizing their experience and intuition to ultimately select a candidate for further development. The whole process is laborious, expensive and inelegant. Contrary to traditional drug design methods, CADD has been applied as a highly effective tool for systematic assessment of potential lead candidates before they are synthesized and tested. In this way, it saves time as well as cost in drug discovery. Our Services Compound Docking
Molecule docking has become one of the most useful drug design approach, in which the 3-D structure of a binding site can be analyzed and leads to a comprehensive investigation of the interactions between drug and receptor. Docking study plays an important role in the QSAR methods and homology modeling, so it is useful in the structure-based drug design. Virtual Screening Activity Prediction QSAR Prediction Physicochemical Prediction
Why are you working with us?
Industry-standard software and hardware
Proprietary design concepts and tools
An experienced scientist
A good track record of success
Close integration with related disciplines
Problem-solving expertise and creativity

Ability to execute patenting strategies
References 1. Kapetanovic, I. M. (2008). Computer-aided drug discovery and development (CADDD): in silico-chemico-biological approach. Chemicobiological interactions, 171(2), 165-176. 2. Lu, P., Bevan, D. R., Leber, A., Hontecillas, R., Tubau-Juni, N., & Bassaganya-Riera, J. (2018). Computer-Aided Drug Discovery. Accelerated Path to Cures, 7-24.