Open AccessThe expression of interleukin-1β and nuclear factor erythroid-2 in the periodontitis after treatment of liquid smoke rice hull
Author(s) -
Ira Arundina,
TheresiaIndah Budhy,
WisnuSetyari Juliastuti,
MeircuriusDwi Condro Surboyo,
AnisaNur Halimah,
Putrisa Lestari
Publication year - 2022
Publication title -
journal of advanced pharmaceutical technology and research
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 33
eISSN - 2231-4040
pISSN - 0976-2094
DOI - 10.4103/japtr.japtr_222_21
Subject(s) - immunohistochemistry , porphyromonas gingivalis , inflammation , periodontitis , scaling and root planing , andrology , interleukin , medicine , chronic periodontitis , chemistry , cytokine
Brazilein sappan wood, played by Spike (S) glycoprotein, Papain-Like proteinase (PLpro), and Main protease (Mpro), is expected to be a candidate for the antiviral drug SARS-CoV-2, which can inhibit viral attachment to the human body, replication, and transcription processes. The aim of this study was to predict in silico , using the comparative drug hydroxychloroquine, the working goal of brazilein sappan wood as a candidate for the antiviral drug SARS-CoV-2 against protein S, PLpro, and Mpro. The approach used is the in silico docking test using the computer program Molegro Virtual Docker. Receptor used by protein S, Protein Data Bank (PDB) code: 6M0J, NAG_601[E] ligand; PLpro, PDB code: 7JIT, Y95_501[A] ligand; and Mpro, PDB code: 1WOF, I12_1145[A] ligand. Data analysis was carried out by comparing the docking bond energies between the ligands at the target receptor. Silico test results for protein S: ligand bond energy NAG_601 [E] = -59.4555, brazilein = -71.5537, hydroxychloroquine = -79.3704; PLpro protein: Ligand bond energy Y95_501 [A] = -129.561, brazilein = -94.9761, hydroxychloroquine = -100.984; Mpro protein: Ligand bond energy I12 1145 [A] = -141.135, brazilein = -96.6169, hydroxychloroquine = -104.88. The above test results indicate that brazilein sappan wood has potential as a SARS-CoV-2 drug candidate, has a stable bond, and that the biological activity of the compound is stronger against S protein than the proteins of PLpro and Mpro.