Application Note Zaptron Systems, Inc.
Optimization of New Drug Exploration from Herbs
China Institute of Medical Chemistry (CIMC), with which Zaptron has a long history in cooperative research and development on advanced anti-tumor and anti-malaria drugs design and synthesis from herbs.
New drug exploration from herbs.
The client has done a series of research and development work to find new drugs based on Chinese plant medicine (herbs). They extract effective components from plants or animal body, determine their molecular structure, then try to modify the molecule structure by changing some part of them. For example, its scientists substituted a hydrogen atom by CH3, Cl, F, or other elements. After having tens of compounds (molecules) synthesized, they measured and tested their bio-activity and water-oil distribution by the so-called Hansch analysis. Then they needed to correlate the bio-activity data to suitable parameters. Computer-based methods were used to build mathematical models and to find the relationship between molecular structure and bio-activity of a few drugs.
Data Analysis Method:
We helped them use ProcessMaster software to build a model from raw data. The software has been found quite useful in anti-tumor and anti-malaria drug research by the Client. The research and development work on anti-malaria drug research at China Institute of Medical Chemistry is rather famous in the world.
We helped them make computations to find these relationships. Our data mining and pattern recognition technologies helped them find the regularities of a few anti-malaria drugs and anti-tumor drugs. This work on malaria drug design at CIMC enjoys a rather high reputation in the world
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