ArticleScientific reports2022
Discovery of Rift Valley fever virus natural pan-inhibitors by targeting its multiple key proteins through computational approaches.
Article in Scientific reports, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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Who cites it
8 citing papers in PubMed.
- Microbial pigments as potential anti-rift valley fever virus drugs.BMC chemistry · 2026Article
- Computational prediction of phytochemical inhibitors against the cap-binding domain of Rift Valley fever virus.Molecular diversity · 2024Article
- Targeting XGHPRT enzyme to manageSaudi journal of biological sciences · 2024Article
- Cloning and phylogenetic analysis of N protein gene from Rift Valley Fever Virus (RVFV).Bioinformation · 2024Article
- Network pharmacology based virtual screening of Flavonoids fromSaudi pharmaceutical journal : SPJ : the official publication of the Saudi Pharmaceutical Society · 2023Article
- The molecular interplay of known phytochemicals asSaudi journal of biological sciences · 2023Article
- Identification of novel inhibitors against hantaviruses through 2D fingerprinting and molecular modeling approaches.Frontiers in immunology · 2023Article
- An In-Silico Investigation to Design a Multi-Epitopes Vaccine against Multi-Drug ResistantVaccines · 2022Article
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Authors and funding
11 authors.
Funding
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Abstract
The Rift Valley fever virus (RVFV) is a zoonotic arbovirus and pathogenic to both humans and animals. Currently, no proven effective RVFV drugs or licensed vaccine are available for human or animal use. Hence, there is an urgent need to develop effective treatment options to control this viral infection. RVFV glycoprotein N (GN), glycoprotein C (GC), and nucleocapsid (N) proteins are attractive antiviral drug targets due to their critical roles in RVFV replication. In present study, an integrated docking-based virtual screening of more than 6000 phytochemicals with known antiviral activities against these conserved RVFV proteins was conducted. The top five hit compounds, calyxin C, calyxin D, calyxin J, gericudranins A, and blepharocalyxin C displayed optimal binding against all three target proteins. Moreover, multiple parameters from the molecular dynamics (MD) simulations and MM/GBSA analysis confirmed the stability of protein-ligand complexes and revealed that these compounds may act as potential pan-inhibitors of RVFV replication. Our computational analyses may contribute toward the development of promising effective drugs against RVFV infection.
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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the Socratic graph.