TY - JOUR
T1 - SENOLYTIC ACTIVITY EVALUATION OF CORIANDER (Coriandrum sativum L) PHYTOCONSTITUENTS
T2 - In-silico STUDY
AU - Namirah, I.
AU - Fadilah,
AU - Dewi, S.
AU - de Lima, F. V.I.
AU - Hardiany, N. S.
N1 - Funding Information:
The authors thank the Ministry of Research, Technology and the Higher Education Republic of Indonesia for the “Penelitian Dasar Unggulan Perguruan Tinggi” grant (Grant number: NKB-120/UN2.RST/HKP.05.00/2021).
Publisher Copyright:
© 2022, Rasayan Journal of Chemistry, c/o Dr. Pratima Sharma. All rights reserved.
PY - 2022/10/1
Y1 - 2022/10/1
N2 - Coriander phytoconstituent has pro-apoptotic and anti-inflammatory activities. This study evaluated the activity of Coriander phytoconstituent against the Senescent Cell Anti-Apoptotic Pathways (SCAPs) network nodes that serve as targets for senolytic drugs. Docking simulations were performed using Autodock Vina PyRx (v0.8), Autodock Tools 1.5.6, and visualized by the Discovery Studio Visualizer. The anti-apoptotic protein (BCL-XL, BCL-2, BCL-W, and survivin) interaction network was obtained from String db.org. The flavonoid compounds showed good binding energy than non-flavonoid compounds. In flavonoid compounds, referring to the binding energy of standard drugs, rutin have a potent affinity to survivin with a binding energy of-7.47 kcal/mol. In addition, the binding energy of galangin-5-methylether, pectolinarigenin, luteolin, apigenin, and 5,6,7-trimethoxyflavone serve higher binding activity to BCL-XL in the ranges-7.73 –-8.64 kcal/mol. Meanwhile, pseudobaptigenin has an affinity to both proteins, survivin, and BCL-XL with the binding energy of-5.71 and-8.64 kcal/mol respectively. Hence, the coriander phytoconstituents could have the potential as a senolytic agent by interfering with the SCAPs, especially BCL-XL and survivin.
AB - Coriander phytoconstituent has pro-apoptotic and anti-inflammatory activities. This study evaluated the activity of Coriander phytoconstituent against the Senescent Cell Anti-Apoptotic Pathways (SCAPs) network nodes that serve as targets for senolytic drugs. Docking simulations were performed using Autodock Vina PyRx (v0.8), Autodock Tools 1.5.6, and visualized by the Discovery Studio Visualizer. The anti-apoptotic protein (BCL-XL, BCL-2, BCL-W, and survivin) interaction network was obtained from String db.org. The flavonoid compounds showed good binding energy than non-flavonoid compounds. In flavonoid compounds, referring to the binding energy of standard drugs, rutin have a potent affinity to survivin with a binding energy of-7.47 kcal/mol. In addition, the binding energy of galangin-5-methylether, pectolinarigenin, luteolin, apigenin, and 5,6,7-trimethoxyflavone serve higher binding activity to BCL-XL in the ranges-7.73 –-8.64 kcal/mol. Meanwhile, pseudobaptigenin has an affinity to both proteins, survivin, and BCL-XL with the binding energy of-5.71 and-8.64 kcal/mol respectively. Hence, the coriander phytoconstituents could have the potential as a senolytic agent by interfering with the SCAPs, especially BCL-XL and survivin.
KW - Anti-Apoptotic Protein
KW - Coriandrum sativum L
KW - In-silico
KW - Senescent Cells
UR - http://www.scopus.com/inward/record.url?scp=85145391416&partnerID=8YFLogxK
U2 - 10.31788/RJC.2022.1547007
DO - 10.31788/RJC.2022.1547007
M3 - Article
AN - SCOPUS:85145391416
SN - 0974-1496
VL - 15
SP - 2584
EP - 2590
JO - Rasayan Journal of Chemistry
JF - Rasayan Journal of Chemistry
IS - 4
ER -