An In Silico Study: Phytochemical Compounds Screening of Garcinia atroviridis Griff. ex T. Anders as Anti-DENV
| Autor: | Nur Sofiatul Aini, Arif Nur Muhammad Ansori, Viol Dhea Kharisma, Ahmad Affan Ali Murtadlo, Muhammad Badrut Tamam, Teguh Hari Sucipto, Vikash Jakhmola, Maksim Rebezov, Taru Saklani, Rahadian Zainul |
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| Jazyk: | angličtina |
| Rok vydání: | 2023 |
| Předmět: | |
| Zdroj: | Journal of Pure and Applied Microbiology, Vol 17, Iss 4, Pp 2467-2478 (2023) |
| Druh dokumentu: | article |
| ISSN: | 0973-7510 2581-690X |
| DOI: | 10.22207/JPAM.17.4.45 |
| Popis: | 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. |
| Databáze: | Directory of Open Access Journals |
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