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. Author manuscript; available in PMC: 2021 Nov 15.
Published in final edited form as: Bioorg Med Chem. 2020 Sep 24;28(22):115781. doi: 10.1016/j.bmc.2020.115781

Table 4.

Antitumor activity against breast cancer cell line MDA-468, and two brain tumor cell lines, human Glioblastoma multiforme SNB-19, and C6 rat glioma. The last column is a summary of initial computational docking of the N-heterocyclic AIMs at the Pu22 quadruplex of the c-myc oncogene, PDB accession number 2L7V, using the Discovery Studio suite version 4.0, unless otherwise noted. §Discovery Studio version 2017.

SNB-19
 MDA-468
 C6
10-Ar
AIM		 IC50
(μM)		 95%
CI
(±)		 IC50
(μM)		 95%
CI
(±)		 IC50
(μM)		 95%
CI
(±)		 Cdocker
Interaction
Energy (kcal/
mole)
conformation
o-Pyridyl >25 6.34 0.67 >25 75.6
m-Pyridyl 7.76 0.42 1.29 0.3 >25 72.0
p-Pyridyl 7.08 0.26 3.1 0.27 16.9 0.5 77.6
Quinoline 2.03 0.09 1.17 0.25 6.71 0.12 78.5 Anti
76.7 Syn (locked)
83.7 Syn (eq)§