Systems and Methods For Determination of Compounds for Stimulation or Inhibition of Neocalcification

摘要

Disclosed are systems and methods as may be used for development of compounds that can be utilized for prevention of pathological calcification. Disclosed are functional models can represent in great detail the first steps in protein-membrane interaction leading to calcification. Disclosed compounds include those that interfere with pathologic calcification processes and thus may be used as part of a formulation or composition for preventing pathological calcifications. Modeling methods and systems can include in vitro and/or in silico dynamic molecular modeling of biological materials including representative mineralization models in conjunction with substances that can affect normal or pathogenic calcification processes. Disclosed models can examine interactions of biological components involved in calcification including calcium, inorganic phosphate, phosphatidylserine, and annexin-5 protein.