The potential of Curcuma longa L. bioactive compounds as RSK inhibitors for the treatment of prostate cancer: in silico study

African Journal of Urology, Journal Year: 2025, Volume and Issue: 31(1)

Published: Jan. 28, 2025

Abstract Background The second most seen malignancy occurrence among males is prostate cancer. p90 ribosomal s6 kinase (RSK) has attracted increased attention due to its overexpression in cancer cells, especially cells. Significant progress been made recently develop RSK inhibitors treat cancer, but these efforts have shown limited success. Methods Molecular docking and other computational analysis procedures using the Schrodinger suite were used predict silico ability of bioactive compounds from turmeric ( Curcuma longa ) bind effectively as potent inhibitors. Forty-three (43) selected screened against RSK. After molecular induced-fit docking, hit later subjected ADMET, MMGBSA, QSAR analyses Schrödinger suite. Results Five may be possible lead drugs for treatment because they lowest binding energies, ranging − 9.0 kcal/mol 11.00 kcal/mol, better pharmacokinetic qualities than standard docetaxel, enzalutamide, abiraterone. ligand receptor had induced fit scores 8.511, 6.977, 8.671, 9.548, 8.287 3-O-caffeoylquinic acid, 8-hydroxyl-ar-turmeron, bisdemethoxycurcumin, Curcumin II, demethoxycurcumin, respectively. These after ADMET prediction do not violate Lipinski's rule five. Conclusion work suggested that phytocompounds are effective treatment. Further vivo vitro investigations can confirm findings.

Language: Английский

Bambusa vulgaris Leaf Extract Inhibits the Inflammatory and Oxidative Pathways in Streptozotocin-induced Diabetic Rats

Journal of Ethnopharmacology, Journal Year: 2024, Volume and Issue: 339, P. 119116 - 119116

Published: Nov. 22, 2024

Language: Английский