In silico study of the flavonoid compound of Sauropus androgynus leaves ON RNA-Dependent RNA polymerase (RdRp) SARS-CoV-2

Abstract

In silico study of the flavonoid compound of Sauropus androgynus leaves ON RNA-Dependent RNA polymerase (RdRp) SARS-CoV-2 Aghnia Nabila Ananda a, Triawanti Triawanti b, Bambang Setiawan b,*, Annisa Camellia Makati a, Jasmine Aisyah Putri a, Sentot Joko Raharjo c a Faculty of Medicine and Health Sciences, Universitas Lambung Mangkurat, Banjarmasin, South Kalimantan, Indonesia b Department of Biochemistry and Molecular Biology, Faculty of Medicine and Health Sciences, Universitas Lambung Mangkurat, Banjarmasin, South Kalimantan, Indonesia c Diploma of Food and Pharmacy Analyst, Polytechnic of Health of Putra Indonesia Malang, Malang, East Java, Indonesia A R T I C L E I N F O Handling Editor: Prof A Angelo Azzi Keywords: SARS-CoV-2 RdRp Flavonoid Binding affinity In silico A B S T R A C T Objective: RNA-dependent RNA polymerase (RdRp) is a protein that is essential in the replication and transcription processes of SARS-CoV-2. RdRp inhibitors must be sought, particularly in the identification of active substances in herbal or human dietary sources. The purpose of this study was to investigate the molecular docking of phytochemistry from the leaves of Sauropus androgynus against the RdRp protein. Methods: This in silico study was performed using AutoDock Tools 1.5.7, AutoDock Vina v1.2.3 software, and BIOVIA Discovery Studio Visualizer 4.1. Results: Afzelin, kaempferol, and trifolin were found as phytochemistry in Sauropus androgynus leaves. Among the three flavonoid molecules, afzelin has the lowest negative binding affinity (􀀀 7.677 kcal/mol), followed by trifolin (􀀀 6.906 kcal/mol) and kaempferol (􀀀 6.65 kcal/mol). All three flavonoid compounds have a binding affinity that is more negative than the three conventional drugs (favipiravir, remdesivir, ribavirin). Conclusions: Flavonoid from the leaves of Sauropus androgynus leaves can be utilized as candidate for herbal or complementary medicine as an inhbitor of RdRp for COVID-19 treatment.