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APPLICATIONS: Fundamental Medicine and Phisiology

Molecular model of human lactate dehydrogenase A

Nilov Dmitry
Moscow State Uiversity

DRIVER: Construct full-atomic molecular model of human lactate dehydrogenase A

STRATEGY: Apply molecular modeling methods, in particular energy minimization and molecular dynamics, to construct full-atomic model of a protein

OBJECTIVE: Create a model of human lactate dehydrogenase A for virtual screening for inhibitors

IMPACT: Development of novel inhibitors of lactate dehydrogenase and investigation of the mechanism of their action

USAGE: Application of developed inhibitors to treat cancer diseases

AREA: Fundamental Medicine and Phisiology

The development of new generation drugs: anticoagulants, hypolipidemic and anticancer medications

Aibush Arseny
Semenov Institute of Chemical Physics of RAS

DRIVER: The main goal of this project is the search of new classes of chemical compounds which can be used as potential drugs of new generation: anticoagulants, hypolipidemic and anticancer medications. New potential anticoagulants were found. The search of hypolipidemic and anticancer medications is under way.

STRATEGY: The search method consists of several stages which include: in-silico virtual screening, chemical synthesis, in-vitro tests. Each stage taking into account the possibilities of other stages.

OBJECTIVE: The search of new effective (better or at least equal in comparison with known analogs) drugs to prevent heart attack, stroke, instable angina, venous thrombosis and pulmonary embolism, hypolidemia and malignant tumors (the last two are at the beginning stage).

IMPACT: In case of successful results of the project new effective drugs which slow down blood coagulation will found. Currently this part of the project is in the stage of preclinical tests. The search of new hypolipidemic and anticancer active compounds has been started.

USAGE: Drug development, Medicine

AREA: Fundamental Medicine and Phisiology, Organic Chemistry

Studies on the structure-functional determinants of the Alzheimer disease

Paulshakov Vladimir
Moscow State Uiversity

DRIVER: Understanding the molecular basis of the Alzheimer disease

STRATEGY: Molecular dynamics, quantum mechanics, hybrid QM/MM method

OBJECTIVE: Determining the structure of the metal binding domain of both pathological and non-pathological forms of beta-amyloid in complex with metal ions.

IMPACT: Scientific. In long term commercial effect may appear.

USAGE: life science, fundamental medicine

AREA: Fundamental Medicine and Phisiology, Physicochemical Biology