Drug Discovery Project

look for inhibitors of falcipain-2 to treat malaria.

Using Virtual Cell linking to
Transport, docking, distribution (Volume of distribution with the lipids. we need the lipid fraction in different compartments), metabolized and elimination(degradation) as in terms of ADME in pharmacokinetics.

Create on Synaptic Leap page under current projects.
ADME



cell pk = side by side Nan's (validation prediction) and Xinyuan's project(general modeling, simulation)
under 1 level, drug screening
under 2 level, antimalarial specific
under 3 level, falcipain-2
under 4 level, ADME, specific experiment links (JC compound, R docking, J subcell localization)