Virtual Screening

It's a prediction of biological activity of compounds

At present, the virtual screening of biological activity for compounds of company TOSLAB is carrying out at Cluster "SKIF". The prognosis of 4 types of biological activity is fulfilled for 18631 compounds of database TOSLAB_Collection using a combination of BiS and MultiGen algorithms. Additionally lattice 3D QSAR algorithms and discriminant analysis are used for reliability growth of the prediction.

It has been found

• 1946 potential inhibitors of cycline-dependent kinase CDK4 (potential anti-tumor agents);

• 946 potential inhibitors of p38 MAP-kinase (potential anti-inflammators and anti-rheumatics);

• 83 potential inhibitors of alternative site of p38 MAP-kinase (potential anti-inflammators and anti-rheumatics);

• 548 potential inhibitors of HIV1-protease (potential anti-AIDS drugs).

The results are also presented at Web-site of TOSLAB company.

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