Brain drug targeting: a computational approach for overcoming blood-brain barrier.
The treatment of brain disorders is limited by the insufficiency in delivering therapeutic drugs into brain relating to highly limited transport of compounds through blood-brain barrier (BBB). Therefore, a lot of attempts have been made to rise above this problem using a variety of approaches. In this way, in silico techniques try to predict the brain permeability based on a range of physicochemical descriptors resulting from structures of the corresponding compounds. Most of the models have some disadvantages, which preclude making conclusive decision. The major defect is ignoring the main parts of process of permeability using only total concentrations for modeling. Moreover, the role of transporters is underestimated in addition to neglecting the complex nature of BBB, which, collectively, leads to uncertain results.
Mehdipour
Ahmad Reza
AR
Medicinal & Natural Products Chemistry Research Center, Shiraz University of Medical Sciences, P.O. Box: 3288-71345, Shiraz, Iran.
Hamidi
Mehrdad
M
D000818:Animals; D001812:Blood-Brain Barrier / Q000033:anatomy & histology / Q000737:chemistry / Q000502:physiology*; D001921:Brain / Q000187:drug effects*; D019295:Computational Biology / Q000379:methods*; D003198:Computer Simulation; D016503:Drug Delivery Systems; D006801:Humans; D008958:Models, Molecular; D010455:Peptides / Q000494:pharmacology; D010539:Permeability; D011355:Prodrugs
D010455:Peptides; D011355:Prodrugs