Description:
Viral infection is a global health problem that can cause endemic to a pandemic. Compounds delivered from plants has been developed as an alternative antiviral agent. One of the plants that can be used as antiviral therapy is Ficus carica L. (figs). This research aims to predict the inhibitory activity and toxicity of compounds in figs as an antiviral for HIV-1 using the in silico method. Compounds were docked to the HIV-1 Reverse Transcriptase protein (PDB ID: 3LAL). Three-dimensional structures were modelled using GaussView and optimized using Gaussian 09W. Optimized compounds were docked to the target protein using AutoDock Tools and the interaction to protein binding side was analyzed compared to the standard compounds, namely nevirapine, efavirenz, and doravirine. The compound toxicity was analyzed using ECOSAR and Toxtree. Based on the results, the compounds that have similar interaction to the standard compounds were campesterol which has four similar hydrophobic interactions. Based on the classification of Cramer Rules for toxicity test, campesterol is classified in Class 3 (high toxicity), and a ccording to the Benigni/Bossa Rulebase classification, campesterol is negative for genotoxic and nongenotoxic carcinogenicity.

URL:
http://103.158.96.218:4005/web_repository/uploads/29868-108863-2-PB.pdf

Type:
Journal

Document:
Diploma III Farmasi

Date:
23-06-2024

Author:
SHOPI DAMAYANTI