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Novel methodology for predicting new drug candidates (09 EE 21C0 3ESY)
An Estonian company has developed powerful computational technology for generation of chemical compounds or other molecular structures having the target numerical values of a physical property, chemical reactivity or biological activity or their combination. The method is aimed on the computational development of novel molecular structures with predetermined chemical, physical and/or biomedical properties. The company is looking partners for technical co-operation and/or licencing.
Country: Estonia
Type: OFFER
Date: 19.08.2011
An Estonian company has developed powerful computational technology using fragment approach. This technology enables the generation of chemical compounds or other molecular structures having the target numerical values of a physical property, chemical reactivity or biological activity or their combination.
The aim of this novel technology is to fragmentize the compound's structure in appropriate fragments on which the "natural" molecular descriptors can be calculated. This fragmentation is an important step and it defines how the whole compounds will be treated computationally. These fragments are further combined into new whole compounds and simultaneously tested and optimized for the property of interest.
Fragment approach in the computational model is considering the whole molecular structures as a combination of fragments and its reverse task enables to combine novel compounds with predefined chemical and biological properties.
The methodology is successfully applied in following areas: lead and hit candidates, protease inhibitors, sequences of peptides, mosquito repellents, gas absorbents etc.
Innovative Aspects:
The main advantage of the method is robust prediction of novel compounds with predefined properties. The computational technology uses fragment approach and is fast compared to traditional methods.
Degree of development:
Patents/Rights: Patent(s) applied for but not yet granted
Requested Cooperation: License Agreement, Engineering, Technical consultancy, Joint further development, Testing of new applications, Adaptation to specific needs, Joint Venture Agreement, Transfer of knowledge in new raw materials
- Type of partner sought: Chemical industry, Biotech and Pharma companies
- Specific area of activity of the partner: molecular engineering, drug discovery, medicinal chemistry, new materials
- Task to be performed by the partner sought: the company is open to different levels of co-operation from licencing the technology to joint venture and technical co-operation. The partner will gain benefits in the fields of construction and prediction of novel compounds/materials/drugs with predefined properties.
Type of Organisation:
Status: NEW
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