作者
Nur Sofiatul Aini, Viol Dhea Kharisma, Muhammad Hermawan Widyananda, Ahmad Affan Ali Murtadlo, Rasyadan Taufiq Probojati, Dora Dayu Rahma Turista, Muhammad Badrut Tamam, Vikash Jakhmola, Elsa Yuniarti, Saddam Al Aziz, Muhammad Raffi Ghifari, Muhammad Thoriq Albari, Riso Sari Mandeli, Muhammad Arya Ghifari, Devi Purnamasari, Budhi Oktavia, Amalia Putri Lubis, Fajriah Azra, Fadhilah Fitri, ANM Ansori, Maksim Rebezov, Rahadian Zainul
发表日期
2022
期刊
Pharmacognosy Journal
卷号
14
期号
5
简介
The global COVID-19 pandemic caused by SARS-CoV-2 has been the resulted of massive human deaths since early 2020. The purpose of this study was to determine the potential of mangosteen (Garcinia mangostana L.) as an inhibitor of RBD spike, helicase, Mpro, and RdRp activity of SARS-CoV-2 with an in silico approach. The samples were obtained from PubChem and RCSB PDB. Analysis of the similarity of the drug was carried out with the Swiss ADME on the basis of Lipinski rule of five. Prediction of antivirus probabilities was carried out using PASS Online. Molecular screening was performed using PyRx through molecular docking. Discovery Studio was used for visualization. The bioactive compounds with the highest antiviral potential were indicated with the lowest binding affinity to the targeted proteins RBD spike, helicase, Mpro, and RdRp of SARS-CoV-2. The results indicated that mangiferin has the greatest potential as a potential antiviral. However, more research is required to validate the results of these computational predictions.
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