Figure 4 | Scientific Reports

Figure 4

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 4

The BPA derivatives with methylene and oxygen in region B. Panel (A) Cell viability (MTT assay) following exposure to the indicated derivatives of FF (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) Electrostatic potential map for PP1, HR1, and HR4 generated by semi-empirical method PM3 as implemented in Spartan ’18 version 1.1.0.

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