Search of new pharmacological properties of known medical products by methods of computer modelling
Pyatigorsk state pharmaceutical academy,
Russia (357500, Pyatigorsk, pr. Kalinina 11)
In Federal Agency of intellectual property, patents and trademarks the state registration of original algorithm and database «Drug» is carried out, allowing to prognosis a new kinds of action of known medical products. The program is based on comparison of a set of quantum-chemical and geometrical descriptors of molecules by methods of multidimensional statistics. Results of work of algorithm have received practical acknowledgement for four drugs.
forecasting of biological activity, molecular modeling, nonpeptide inhibitors of thrombocytes glycoprotein IIb/IIIa