![Author ORCID: We display the ORCID iD icon alongside authors names on our website to acknowledge that the ORCiD has been authenticated when entered by the user. To view the users ORCiD record click the icon. [opens in a new tab]](https://chemrxiv.org/engage/assets/public/chemrxiv/images/logos/orcid.png)
Abstract
Natural products and
their derivatives continue to be wellsprings of nascent therapeutic potential.
However, many laboratories have limited resources for biological evaluation, leaving
their previously isolated or synthesized compounds largely or completely untested.
To address this issue, the Canvass library of natural products was assembled,
in collaboration with academic and industry researchers, for quantitative high-throughput
screening (qHTS) across a diverse set of cell-based and biochemical assays. Characterization
of the library in terms of physicochemical properties, structural diversity,
and similarity to compounds in publicly available libraries indicates that the
Canvass library contains many structural elements in common with approved drugs.
The assay data generated were analyzed using a variety of quality control
metrics, and the resultant assay profiles were explored using statistical
methods, such as clustering and compound promiscuity analyses. Individual
compounds were then sorted by structural class and activity profiles. Differential
behavior based on these classifications, as well as noteworthy activities, are
outlined herein. One such highlight is the activity of (–)-2(S)-cathafoline,
which was found to stabilize calcium levels in the endoplasmic reticulum. The
workflow described here illustrates a pilot effort to broadly survey the
biological potential of natural products by utilizing the power of automation
and high-throughput screening.
Supplementary materials
Title
Canvass SI
Description
Actions
Title
compound-tsne-individual
Description
Actions
