Jurnal Ilmiah Ibnu Sina (JIIS): Ilmu Farmasi dan Kesehatan
Vol 9 No 2 (2024): JIIS

POTENSI ANDROGRAFOLID, DEOKSIANDROGRAFOLID, NEOANDROGRAFOLID SEBAGAI ANTIATEROSKLEROSIS PADA CASPASE-1: STUDI IN SILICO

Ugrasena, Putu Yudha (Unknown)
Puspita Sari, Dyah Ratna Ayu (Unknown)
Indraswari, Putu Ika Indah (Unknown)



Article Info

Publish Date
26 Nov 2024

Abstract

Atherosclerosis is a vascular pathological condition characterized by active, chronic, progressive inflammation and plaque formation in the arterial walls Interleukin 1-beta (IL-1β) cytokine influences every stage of atherosclerosis, from destroying monocytes and other immune cells to forming plaques. Caspase-1 protein plays a role in activating the inflammatory cytokine Pro-Interleukin-1 Beta (Pro IL-1β) to IL-1β. One of the plants that has the potential to treat atherosclerosis is Andrographis paniculata. Andrographolide and its analogs, such as neoandrographolide and deoxyandrographolide, are the main bioactive compounds with various pharmacological activities. This study aimed to screen the activity of the compounds through the description of the stability of the compounds in protein caspase-1. This type of research was an in-silico exploratory study of the caspase-1 protein (PDB ID: 1RWK), with compound preparations, protein preparations, validating the molecular docking method to docking andrographolide neoandrografolid and deoksiandrografolid compounds on the target protein. The compounds has an affinity for the target protein with binding energy values ​​of -5.95 kcal/mol, -6.02 kcal/mol, and -6.81 kcal/mol respectively, which are smaller than the native ligand -4.77 kcal/mol. Docking results show that andrographolide, neoandrografolid, and deoxyandrografolid can potentially inhibit caspase-1, which activates the pro-inflammatory cytokine IL-1β in atherosclerosis.

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Journal Info

Abbrev

JIIS

Publisher

Subject

Medicine & Pharmacology

Description

Jurnal Ilmiah Ibnu Sina (JIIS): Ilmu Farmasi dan Kesehatan is a broad-based primary journal covering all branches of pharmacy and its sub-disciplines that contains complete research articles, short communication and review articles. JIIS is a forum for the publication of quality and original works ...