10.6084/m9.figshare.1279414.v1
Fran Supek
Fran
Supek
LogP is a principal determinant of antitumor and antibacterial activity in 18-crown-6 ethers - QSAR dataset
figshare
2014
cancer cell lines
crown ethers
lariat ethers
qsar
potassium transport
ionophore
membrane channel
antitumor
antiproliferative
bacteriostatic
Bacillus subtilis
18-crown-6
aza-crown
sw620
mcf-7
h460
antibacterial
Organic Chemistry
Supramolecular Chemistry
Cheminformatics
Pharmacology
2014-12-26 16:25:09
Dataset
https://figshare.com/articles/dataset/LogP_is_a_principal_determinant_of_antitumor_and_antibacterial_activity_in_18_crown_6_ethers_QSAR_dataset/1279414
<p>This QSAR data set includes 25 chemical compounds with measured <em>in vitro</em> biological activity against three human cancer cell lines: SW620 (colon), MCF-7 (breast) and H460 (lung).</p>
<p>In addition to the antitumor effects, we measured differential bacteriostatic activity against <em>Bacillus subtilis</em>. (in contrast, <em>Escherichia coli</em> was almost fully resistant to all tested molecules in our experiments).</p>
<p>All compounds are crown ethers, derivatives of 18-crown-6 (including oxa and aza-crowns), frequently carrying adamantane or other hydrophobic substituents. 18-C-6 are known to shuttle potassium ions across biological membranes.</p>
<p>The molecular descriptors were computed using the E-Dragon online service.</p>
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