Chromatographic Data in Statistical Analysis of BBB Permeability Indices

Blood–brain barrier (BBB) permeability is an essential phenomena when considering the treatment of neurological disorders as well in case central nervous system (CNS) adverse effects caused by peripherally acting drugs. The presented work contains statistical analyses and correlation assessment analyzed group active pharmaceutical ingredients (APIs) with their BBB-permeability data collected from literature (such computational log BB; Kp,uu,brain, CNS+/− groups). A number regression models were constructed order to observe connections between APIs’ physicochemical properties combination retention chromatographic experiments (TLC HPLC) indices bioavailability CNS. Conducted confirm that descriptors significant BBB modeling are hydrogen bond acceptors donors, physiological charge, or energy lowest unoccupied molecular orbital. These basis, along TLC BB analyses. Normal-phase showed a contribution creation model using multiple linear method. them good predictive value at level R2 = 0.87. Models for Kp,uu,brain resulted lower statistics: 0.56 23 APIs participation k IAM.