Computational prediction of blood-brain barrier permeation

At the turn of the century, there were an estimated 35 million people aged 65 or over in the USA. This figure is expected to increase to 71.5 million by 2030 as the "baby boom" generation joins this segment of the population [1]. Similar trends are anticipated elsewhere in the developed world. This demographic shift is having profound implications for healthcare, given that disorders of the central nervous system (CNS) increase markedly in frequency after the age of 65. Consequently, CNS drugs currently represent the fastest growing segment of the pharmaceutical market and are predicted to account for 20% of blockbuster sales by 2007. There is thus a clear incentive and challenge for the pharmaceutical industry to discover and develop novel therapeutics to meet this burgeoning medical need. © 2005 Elsevier Inc. All rights reserved.