AIMC Topic: Pentacyclic Triterpenes
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Machine learning for target discovery in drug development.
Current opinion in chemical biology
Nov 14, 2019
The discovery of macromolecular targets for bioactive agents is currently a bottleneck for the informed design of chemical probes and drug leads. Typically, activity profiling against genetically manipulated cell lines or chemical proteomics is pursu...
Cytotoxic activity of the bioactive principles from Ficus burtt-davyi.
Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes
Dec 26, 2017
Ficus burtt-davyi (Moraceae) is a medicinal plant species indigenous to Southern Africa. In this study, a phytochemical and cytotoxic investigation on F. burtt-davyi was conducted to evaluate its ethno-medicinal use. The phytochemical study of the fr...
Dissecting celastrol with machine learning to unveil dark pharmacology.
Chemical communications (Cambridge, England)
May 30, 2019
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 anti...
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