2.8.2 ADME prediction
In a drug design point of view the ADME (absorption, distribution, metabolism, and excretion) properties of the newly found compound, Phormidin, compared to the standard, Cerulenin and C75 were predicted using the Schrödinger suite’s Qikprop module (QikProp, version 3.5, Schrödinger, LLC, New York,). Also, Qikprop can predict ADME of any possible drug leads by comparing the compound scaffold with known database and analyzing its similarity within a class of compounds (Schrödinger Release 2015: QikProp, Schrödinger, LLC, New York, NY, 2016.).