Preliminary evaluation of permeability through biological membranes of series newly synthesized molecules

Preliminary evaluation of permeability through biological membranes of series newly synthesized molecules

Poster

E. Bacheva, M. Georgieva, J. Mitkov, Al. Zlatkov
Department Pharmaceutical chemistry, Faculty of Pharmacy, Medical University of Sofia, Bulgaria

Using the free online software SwissADME we determined the pharmacokinetic parameters indicating the permeability through biological membranes (a model of isolated cells of colorectal carcinoma is applied), as intestinal absorption, passing through the blood-brain barrier and skin penetration of series newly synthesized 8-substituted caffeine derivatives. In addition the inhibiting potential of the compounds on the liver enzymes included in the CYP450 group was also evaluated. From the obtained results it is visible that the newly synthesized molecules do not pass through the blood-brain barrier, most of them are characterized with good intestinal absorption and poor skin penetration. The conducted evaluation revealed that the analyzed structures most likely would be metabolized by CYP2C9 and CYP3A4. The obtained results will be used in further design of structural analogues.
Key words: permeability, caffeine, SwissADME