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
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