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Polarna površina molekula.
Polarna površina molekula
Izvor: Wikipedija
Polarna površina molekula (engl.Polar Surface Area - PSA) definiše se kao suma površina svih polarnih atoma, prvenstveno kiseonika i azota, uključujući atome vodonika koji su vezani za njih.[1][2]
PSA nalazi široku primenu u medicinskoj hemiji, kao parametar za optimizaciju sposobnosti leka da prodre u ćelije. Molekuli sa polarnom površinom većom od 140 angstroma kvadratnih ulavnom ispoljavaju slabu permeabilnost ćelijskih membrana. Da bi molekuli prošli kroz krvno-moždanu barijeru (i delovali na receptorima centralnog nervnog sistema), obično je neophodno da imaju PSA manju od 60 angstroma kvadratnih.
↑Ertl, P., Rohde, B., Selzer, P. Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties. J. Med. Chem.2000, 43, 3714–3717. (DOI:10.1021/jm000942e)
↑Ertl, P. Polar Surface Area[mrtav link], in Molecular Drug Properties, R. Mannhold (ed), Wiley-VCH, pp. 111–126, 2007
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