TY - JOUR T1 - In Silico Screening of Bioactive Compounds from Garcinia mangostana L. Against SARS-CoV-2 via Tetra Inhibitors JF - Pharmacognosy Journal Y1 - 2022 A1 - Nur Sofiatul Aini A1 - Viol Dhea Kharisma A1 - Muhammad Hermawan Widyananda A1 - Ahmad Affan Ali Murtadlo A1 - Rasyadan Taufiq Probojati A1 - Dora Dayu Rahma Turista A1 - Muhammad Badrut Tamam A1 - Vikash Jakhmola A1 - Elsa Yuniarti A1 - Saddam Al Aziz A1 - Muhammad Raffi Ghifari A1 - Muhammad Thoriq Albari A1 - Riso Sari Mandeli A1 - Muhammad Arya Ghifari A1 - Devi Purnamasari A1 - Budhi Oktavia A1 - Amalia Putri Lubis A1 - Fajriah Azra A1 - Fadhilah Fitri A1 - ANM Ansori A1 - Maksim Rebezov A1 - Rahadian Zainul KW - Antiviral agent KW - Garcinia mangostana L. KW - in silico KW - SARS-CoV-2 AB -

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.

VL - 14 IS - 5 ER -