@article{Endang Zainal Hasan_Artika_Suryani_Luthfi Ramadhani_2023, title={MOLECULAR DOCKING ANALYSIS OF SELECTED CURCUMA XANTHORRHIZA CONSTITUENTS AS POTENTIAL ANTICANCER DRUG}, volume={30}, url={https://journal.biotrop.org/index.php/biotropia/article/view/1386}, DOI={10.11598/btb.2023.30.1.1386}, abstractNote={<p>Stress conditions will trigger the histone hyperacetylation process due to histone acetyltransferase p300/CBP (HAT PCAF) constantly transfers acetyl groups from acetyl-CoA to conserved lysine residues on histone proteins to form ε-N-acetyllysine. This can be a cause of cancer. The purpose of this study was to investigate the potential mechanisms and inhibition of PCAF HAT by chemical components of <em>C. xanthorrhiza</em> namely, curcumin, demethoxycurcumin, bisdemethoxycurcumin, and xanthorrizhol using in silico, the molecular docking method.  Results showed that the components of <em>C. xanthorrhiza</em> as ligands have the capability to inhibit the binding of acetyl-CoA to histone. These results can be used to predict the inhibitory mechanisms exhibited by <em>C. xanthorrhiza</em> components, as competitive and noncompetitive substances. We hypothesize that <em>C. xanthorrhiza</em> components resemble a substrate, leading to prevention of the natural substrate (histone) to bind to the enzyme, and hence block the product formation. The smallest free Gibs energy was exhibited by curcumin on chain B and by bismethoxycurcumin on chain A, with values of -8.8 and -8.4 Kcal/mol, respectively.</p>}, number={1}, journal={BIOTROPIA}, author={Endang Zainal Hasan, Akhmad and Artika, I Made and Suryani and Luthfi Ramadhani, Dhani}, year={2023}, month={Apr.}, pages={11–20} }