DIDIALL is a young company specialized in the new algorithms and software development for drug design.
DIDIALL is a chemistry-based company specializing in the design and synthesis of organic compounds for the pharmaceutical and drug discovery.
Possibilities of our company
Our company has experience and possibilities of searching and synthesis of chemical agents that can block protein and at the same time provide such characteristics that help them to become medicines. We have developed some original methods of computation modeling that helps to hasten the process and reduce the cost of new chemical agents search and synthesis. We do not have possibilities to determine mechanism of disease and target protein, but for many of the diseases the target proteins are already known.
Vital differences of new biologically active agents search method developed by our laboratory are as follows:
1. We have developed original computing methods to forecast biological activity of agents that are based on experiment feedback. Measuring results received during search of new biologically active chemical compounds are entered into computing model to correct it and improve its forecasting characteristics. It is important to note that not only information about experiments with chemical agents that showed biological activity but also information on experiments with agents that did not show any activity is used as a basement for program learning. It allows using all experimental data full-blast and with maximum correctness.
2. Chemical synthesis of new compounds is the most expensive and labor – intensive operation in medicine formulation. We have developed original approach to chemical synthesis that allows formulating new biologically active agents. This approach is based on close connection of chemical synthesis with computing methods. The principle of our approach is to combine most progressive modern technologies like fragment based approach and combinative chemistry. Fragment based method includes search of small chemical compounds that show small biological activity with their further modification to increase their characteristics of biological activity. Combinative chemistry is a method that uses several simple chemical reactions to create many chemical compounds. Most of them are synthesized in a first time.
3. Using of original computing methods and original approaches to chemical synthesis allows reducing experiment scope and the cost of new biologically active agents search and development significantly.
Our present activities
Now we are working on search of new biologically active agents (inhibitors) to proteins Factor Xa and Thrombin, that are responsible for blood coagulation and cause most common West diseases (thromboembolism, heart attack, apoplexy, etc). We have created computer cluster to perform parallel distributed computing. The cluster was used to do computer search of inhibitors based on library of virtual molecules. The library was organized according to combinative chemistry principles and it includes more than 1010 of chemical compounds. Any of these compounds can be synthesized. During computer search we have selected the most prospective compounds to perform their synthesis. Activity of synthesized agents is measured in vitro by spectroscopic method.
How can we help health service?
The main reasons of mortality in West countries are diseases connected with blood coagulation abnormality. Inhibitors to Factor X and Thrombin are developed by many pharmaceutical companies due to their special practical significance. At present some medicines achieved III stage of clinical trials: for example Rivaroxaban, Apixaban, Dabigatran, Ximelagatran. It is important to note that medicine Ximelagatran developed by AstraZeneca in 2006 was declined at the end of the third stage of clinical trials when its promotion at the market has been already planned. It is still important to offer an anticoagulant to the market.
We suppose to develop some new biologically active agents that potentially can be used as anticoagulant medicines, then bring researches to preclinical trials stage with guarantee of patent clearance of such compounds. We are interested in partner that can undertake arrangement of preclinical and clinical trials of applicant to be new anticoagulant medicine.