TY - JOUR
T1 - In Silico Study of Entry Inhibitor from Moringa oleifera Bioactive Compounds against SARS-CoV-2 Infection
AU - Mawaddani, Nala
AU - Sutiyanti, Ekris
AU - Widyananda, Muhammad Hermawan
AU - Kharisma, Viol Dhea
AU - Turista, Dora Dayu Rahma
AU - Tamam, Muhammad Badrut
AU - Jakhmola, Vikash
AU - Syamsurizal,
AU - Fajri, Bayu Ramadhani
AU - Ghifari, Muhammad Raffi
AU - Albari, Muhammad Thoriq
AU - Ghifari, Muhammad Arya
AU - Lubis, Amalia Putri
AU - Novaliendry, Dony
AU - Putri, Dwi Hilda
AU - Fitri, Fadhilah
AU - Sari, Devni Prima
AU - Nugraha, Alexander Patera
AU - Ansori, A. N.M.
AU - Rebezov, Maksim
AU - Zainul, Rahadian
N1 - Publisher Copyright:
© 2022 Phcogj.Com. This is an open-access article distributed under the terms of the Creative Commons Attribution 4.0 International license.
PY - 2022/9
Y1 - 2022/9
N2 - The aim of this study is to screen the content of bioactive compounds of Moringa oleifera and to identify its potential as an antiviral against COVID 19 through an entry inhibitor mechanism using bioinformatics tools. The sample was obtained from PubChem database. Amino acis sequences were obtained from the NCBI. Protein modeling is made through the SWISSMODEL site. The target proteins for this study were SARS-CoV-2 Mpro and RdRp. The protein-inhibitory interaction of the drug from M. oleifera bioactive compounds to SARS-CoV-2 was predicted by molecular docking with PyRx software.The result shows that M. oleifera was a potential antiviral candidate for SARS-CoV-2 with an entry inhibitor mechanism through a compound, especially quercetin. The RFMS value of both interactions between Mpro and quercetion and RdRp with quercetin were not higher than 1.05. This result still needed further research to prove this prediction.
AB - The aim of this study is to screen the content of bioactive compounds of Moringa oleifera and to identify its potential as an antiviral against COVID 19 through an entry inhibitor mechanism using bioinformatics tools. The sample was obtained from PubChem database. Amino acis sequences were obtained from the NCBI. Protein modeling is made through the SWISSMODEL site. The target proteins for this study were SARS-CoV-2 Mpro and RdRp. The protein-inhibitory interaction of the drug from M. oleifera bioactive compounds to SARS-CoV-2 was predicted by molecular docking with PyRx software.The result shows that M. oleifera was a potential antiviral candidate for SARS-CoV-2 with an entry inhibitor mechanism through a compound, especially quercetin. The RFMS value of both interactions between Mpro and quercetion and RdRp with quercetin were not higher than 1.05. This result still needed further research to prove this prediction.
KW - Active site
KW - COVID-19
KW - M
KW - Moringa oleifera
KW - RdRp
UR - http://www.scopus.com/inward/record.url?scp=85141989136&partnerID=8YFLogxK
U2 - 10.5530/pj.2022.14.137
DO - 10.5530/pj.2022.14.137
M3 - Article
AN - SCOPUS:85141989136
SN - 0975-3575
VL - 14
SP - 565
EP - 574
JO - Pharmacognosy Journal
JF - Pharmacognosy Journal
IS - 5
ER -