ISSN: 0973-7510
E-ISSN: 2581-690X
, Arif Nur Muhammad Ansori2-7, Viol Dhea Kharisma2,8, Ahmad Affan Ali Murtadlo2,8, Muhammad Badrut Tamam9, Teguh Hari Sucipto10, Vikash Jakhmola6, Maksim Rebezov11, Taru Saklani6 and Rahadian Zainul12,13 Dengue virus (DENV) is still global problem and infecting millions of people a year. This virus belongs to Flavivirus and consists of the structural and non-structural proteins including envelop (E), capsid (C), NS2B/NS3, and NS5. Garcinia atroviridis Griff. ex T. Anders is traditional plant that has broad potential as antioxidant, antibacterial, and anti-cancer activities. However, the anti-DENV potential of this plant is uncertain. The objective of this research is to find out the potential of the phytochemical compounds of G. atroviridis as DENV antiviral drugs targeting E, C, NSB2/NS3, and NS5 proteins using molecular simulation approach. Sample retrieval was obtained from PubChem and RCSB PDB. Drug-likeness analysis has been assessed with Swiss ADME based on the pharmacology and pharmacokinetics aspects. Toxicity prediction was done by pkCSM webserver. PyRx was carried out to screen ligand-protein interaction virtually. Visualization of the best interaction was displayed by BIOVIA Discovery Studio. CABS-flex 2.0 version webserver was performed to predict stability interaction. Atroviridin was determined as the most promising as DENV antiviral to be tested by the wet laboratory approach.
DENV, Garcinia atroviridis, Structural Proteins, Non-structural Proteins, Bioinformatics
© The Author(s) 2023. Open Access. This article is distributed under the terms of the Creative Commons Attribution 4.0 International License which permits unrestricted use, sharing, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made.