Issue 45, 2019

Dissecting celastrol with machine learning to unveil dark pharmacology

Abstract

By coalescing bespoke machine learning and bioinformatics analyses with cell-based assays, we unveil the pharmacology of celastrol. Celastrol is a direct modulator of the progesterone and cannabinoid receptors, and its effects correlate with the antiproliferative activity. We demonstrate how in silico methods may drive systems biology studies for natural products.

Graphical abstract: Dissecting celastrol with machine learning to unveil dark pharmacology

Supplementary files

Article information

Article type
Communication
Submitted
22 Apr 2019
Accepted
02 May 2019
First published
03 May 2019

Chem. Commun., 2019,55, 6369-6372

Dissecting celastrol with machine learning to unveil dark pharmacology

T. Rodrigues, B. P. de Almeida, N. L. Barbosa-Morais and G. J. L. Bernardes, Chem. Commun., 2019, 55, 6369 DOI: 10.1039/C9CC03116B

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