Repository Akfar Bumi Siliwangi
In Silico Antiosteoporosis Activity of 96% Ethanol Extract of Chrysophyllum cainito L. Leaves
Description:
Estrogen deficiency causes various health problems in postmenopausal women, including osteoporosis.
Phytoestrogens are emerging as potential estrogen alternatives with minimal side effects. This study aimed
to predict the antiosteoporosis activity of the compounds from 96% ethanol extract of Chyrsophyllum
cainito L. leaves, through in silico study on 3OLS protein, an X-ray protein of ER?. In silico study was
carried out on the compounds from metabolite profiling result of 96% ethanol extract of C. cainito leaves
from previous studies. The structure of compounds resulted from metabolite profiling of 96% ethanol
extract of C. cainito leaves was made using Avogadro 1.0.1 software, geometry optimization with
Chemdraw molecular docking was carried out using PyRx 0.8 software, and Biovia Discovery Studio
Visualizer 2021 software was used to visualize the structure of compounds against 3OLS proteins. The
physicochemical characteristics of the compounds were analyzed using the SwissADME webtool. From
the result, it was known that there were 7 compounds in the leaves of C. cainito which were suspected to
be phytoestrogens that had ER? agonist properties against 3OLS protein. It was said to be an ER? agonist
because the compound had similar parameters to 17?-estradiol in its interaction with the 3OLS protein,
which had a pharmacophore distance of about 10,862, and bound to the amino acids His 475 and Glu 305
or Arg 346. The 96% ethanol extract of C. cainito leaves contained 7 compounds which were thought to be
a phytoestrogen with an ER? agonist that handled its antiosteoporosis activity.
Type:
Procceding
Document:
Diploma III Farmasi
Date:
23-06-2024
Author:
Burhan Ma’arif