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. 2024 Aug 5;29(15):3701. doi: 10.3390/molecules29153701

Table 1.

Evaluation of the BBB permeability and antioxidant effect of Ramalin and its chloride derivatives.

Test Samples TPSA (Å2) 1 iLogP 2 XlogP 3 BBB
Permeability
MW DPPH IC50 4
Ramalin 128 0.65 –1.69 × 253.26 2.95
RA-2Cl 104.44 1.24 –1.26 × 271.70 10.11
RA-3Cl 104.44 1.18 –1.26 × 271.70 20.77
RA-4Cl 104.44 0.98 –0.63 × 271.70 7.57
RA-23Cl 104.44 1.61 –0.63 × 306.15 51.17
RA-24Cl 104.44 1.44 –0.63 × 306.15 46.01
RA-26Cl 104.44 1.31 –0.63 × 306.15 135.16
RA-34Cl 104.44 1.33 –0.63 × 306.15 32.84
RA-35Cl 104.44 1.66 –0.63 × 306.15 57.51

1 TPSA: total polar surface area. 2 iLogP: isocratic log partition coefficient. 3 XlogP: X-ray log partition coefficient. 4 BHA DPPH IC50 = 9.40 µM.