Repository Akfar Bumi Siliwangi



Molecular Docking and Toxicity from Temulawak Rhizome (Curcuma xanthorrhiza Roxb.) against COX-2



Description:
Temulawak rhizome (Curcuma xanthorrhiza Roxb.) is a rhizome that comes from the Zingiberaceae tribe. Temulawak rhizome is commonly used as a traditional medicine in Indonesia as an antiinflammatory. The purpose of this study was to provide information on the potential of temulawak rhizome as a COX-2 inhibitor drug candidate and its toxicity to shrimp larvae (Artemia salina Leach.). The methods used are Lipinski Rule of Five prediction, PreADMET, molecular docking, pharmacophore screening, and BSLT toxicity test. The results obtained show that the lowest Gibbs energy is produced by curcumin (-9.65 kcal/mol), has a pharmacophore hit value, meets the Lipinski rule of five, predicts a good pharmacophore profile, but curcumin has mutagenic properties and is classified as toxic after being tested. with the BSLT method. So that it can be concluded that curcumin has the potential to become an anti-inflammatory drug, but further studies are needed and modifications to the molecular structure of the compound can be carried out so that the tested compound can produce better activity.

URL:
http://103.158.96.218:4005/web_repository/uploads/43808-163578-1-PB.pdf

Type:
Journal

Document:
Diploma III Farmasi

Date:
23-06-2024

Author:
MEILINDA S PRACEKA