Indicaxanthin, Miraxanthin-V, and Hexahydrocurcumin as Potential Erythropoietin Agonist in Silico to Treat Anemia in Chronic Kidney Disease
- 10.2991/hsic-17.2017.62How to use a DOI?
- Agonist Erythropoietin, Anemia, CKD, Phythochemicals, Molecular Docking
Anemia is the most frequent complication of Chronic Kidney Disease (CKD) which is mainly caused by erythropoietin (Epo) deficiency. Epo agonist is the drug choice for anemia in CKD but some patients have antibody against Epo agonist. Objectives: This study aimed to identify Indonesian medicinal plants that have an agonist activity to Epo receptor in silico. Method: This was a bioinformatics study with using all Indonesian phytochemicals which were registered in HerbalDB and had the 3-D in PubChem. The Epo-EpoR complexes were used as standard ligand and receptor with the Protein Data Bank code 1CN4. Because Epo and EpoR sizes were bigger than 1,500 Da, the molecules were truncated validated 3 times using AutodockVina 1.1.2. and all phytochemicals were molecularly docked using the same method. Docking results were visualized using PyMOL 1.7.4. Results: Truncated Epo interacted with EpoR in 9 different binding sites with average of binding affinity ranging from -2.6 to -5.5 kcal/mol. Indicaxanthin, Miraxanthin-V, and Hexahydrocurcumin had lower binding affinity than standard in each binding sites. Similar binding sites to EpoR were founded in Indicaxanthin. Conclusion: Indicaxanthin, Miraxanthin-V, and Hexahydrocurcumin were potential as Epo agonist in silico to treat anemia in CKD.
- © 2017, the Authors. Published by Atlantis Press.
- Open Access
- This is an open access article distributed under the CC BY-NC license (http://creativecommons.org/licenses/by-nc/4.0/).
Cite this article
TY - CONF AU - Yuliana Suselo AU - Kamil Kamil AU - Sri Wulandari AU - Dono Indarto PY - 2017/10 DA - 2017/10 TI - Indicaxanthin, Miraxanthin-V, and Hexahydrocurcumin as Potential Erythropoietin Agonist in Silico to Treat Anemia in Chronic Kidney Disease BT - Proceedings of the Health Science International Conference (HSIC 2017) PB - Atlantis Press SP - 399 EP - 410 SN - 2468-5739 UR - https://doi.org/10.2991/hsic-17.2017.62 DO - 10.2991/hsic-17.2017.62 ID - Suselo2017/10 ER -