Synthesis and Evaluation of C15 Triene Urushiol Derivatives as Potential Anticancer Agents and HDAC2 Inhibitor

Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry
Zhiwen QiJianxin Jiang

Abstract

A series of C15 triene urushiol derivatives were synthesized and evaluated for their anti-HepG2 aggregation in vitro. The results indicated that all compounds had an effective anti-HepG2 vitality. Compound 1 was a potent inhibitor of HepG2 with IC50 of 7.886 μM and 150 μM against LO2. Moreover, compound 1 increased the apoptosis of HepG2. Compound 1’s thiol sulfur formed hydrogen bonding interactions with Gly154 and Tyr308, respectively, and made it bound more closely to HDAC2. In addition, it also formed hydrophobic interactions with the residues His33, Pro106, Val107, Gly154, Phe155, and His183, and was provided with a strong van der Waals force by the hydrophobic action.

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Citations

Oct 20, 2018·International Journal of Molecular Sciences·Zhiwen QiCaie Wu

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Methods Mentioned

BETA
Assay
flow cytometry
X-ray
column chromatography

Software Mentioned

AMBER
DOCK
PyMOL
Chimera
UCSF Chimera

Related Concepts

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