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RESEARCH PRODUCT

Fractal Dimension of Transdermal-Delivery Drug Models: 4-Alkylanilines

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Abstract The pathways that exist in porous membranes used to deliver drugs form fractal percolating paths. For a homologous series of 4-alkylanilines, the fractal dimension D is calculated as a model for transdermal-delivery drugs. Program TOPO is used for the calculation of the solvent-accessible surface AS, which is denoted by the centre of a probe, which is allowed to roll on the outside while maintaining contact with the bare molecular surface S. AS depends on the probe radius R. For 4-alkylanilines, the quadrupole moment Θ is doubled. The hydrophobic contribution to AS is doubled while its hydrophilic part remains constant. D increases 11%. Geometric descriptor and topological index results are in agreement with reference calculations. The 1-octanol-water partition coefficient log P increases. The molar concentration of organic compounds necessary to produce a 1:1 complex with bovine serum albumin via equilibrium dialysis, log 1/C increases. The hydrophile–lipophile balance (HLB) decreases. The linea...