Title : In Silico Identification of Potent PPAR-γ Agonists from Traditional Chinese Medicine: A Bioactivity Prediction, Virtual Screening, and Molecular Dynamics Study.

Pub. Date : 2014

PMID : 24971147






2 Functional Relationships(s)
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Compound Name
Protein Name
Organism
1 The top two TCM candidates, 5-hydroxy-L-tryptophan and abrine, have an indole ring and carboxyl group to form the H-bonds with the key residues of PPAR-gamma protein, such as residues Ser289 and Lys367. 5-Hydroxytryptophan peroxisome proliferator activated receptor gamma Homo sapiens
2 Hence, we propose 5-hydroxy-L-tryptophan and abrine as potential lead compounds for further study in drug development process with the PPAR-gamma protein. 5-Hydroxytryptophan peroxisome proliferator activated receptor gamma Homo sapiens