Figure 5 | Scientific Reports

Figure 5

From: Exploring anticancer activity of structurally modified benzylphenoxyacetamide (BPA); I: Synthesis strategies and computational analyses of substituted BPA variants with high anti-glioblastoma potential

Figure 5

Fluoro- vs Chloro-benzylphenoxyacetamide. Panel (A) Cell viability (MTT assay) following exposure to modified variants of PP1 in which chlorine atom was replaced (25 μM, for 72 hrs). Panel (B) CV = Cell viability (% of control) mean ± SD at 25 μM; ClogP = calculated partitioning; HBD = hydrogen bond donor at pH = 7; HBA = hydrogen bond acceptor at pH = 7; ClogBB = calculated blood-brain partition; PSA = Polar surface area (Å2); MPA = Minimal projection area (Å2); LogS = Aqueous solubility (mg/ml); MPO = Central nervous system multiparameter optimization (CNS MPO). Panel (C) Comparison of electrostatic potential map of our fluoro compounds with electrostatic potential map of PP1.

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