Description:
Degenerative diseases occurred due to several risk factors that are directly related to inflammation which affected several diseases such as coronary heart disease (CHD) and diabetes. One of the inflammatory causative agents is leukotrienes produced by the lipoxygenase enzyme (LOX) so that it takes anti-inflammatory drugs made from herbal plants. Red betel leaf (Piper crocatum) potentially inhibited the lipoxygenase enzyme because it contains potential phytochemical compounds such as alkaloids, flavonoids, eugenol, saponins, and tannins. This research aimed to test the inhibition of active compounds from extract and fractions of red betel leaves that have the best inhibition for lipoxygenase enzymes causing malondialdehyde formed through molecular docking simulations. This research used lipoxygenase enzyme as receptor (PRB code: 4NRE), C8E as natural ligand and active compound from extract and fractions of red betel leaves as a ligand. The highest inhibition regarded to Nandrolone phenylpropionate and Sofalcone ligand with -10.4 kcal/mol and -9.1 kcal/mol of affinity energy. Amino acid residues that played a role in ligand and receptor interaction were HIS373 and HIS378. The receptor structure with the best ligands was declared stable based on molecular dynamics simulations.

URL:
http://103.158.96.210:88/web_repository/uploads/no_data.jpg

Type:
Journal

Document:
Diploma III Farmasi

Date:
23-06-2024

Author:
FERNANDA CHAIRUNISA