Background: The recent Nipah virus (NiV) outbreak in India has caused a state of chaos, with potential to become the next international pandemic. There is still a great deal to learn about NiV for the development of a potent treatment against it. The NiV non-structural proteins play important roles in the lifecycle of the virus, with the RNA-dependent RNA-polymerase (RdRp) being a vital component in viral replication. In this study, we not only provide a comprehensive overview of all the literature concerning NiV, we also propose a model of the NiV RdRp and screen for potential inhibitors of the viral enzyme.
Methods: In this study, computational tools were utilized in the design of a NiV RdRp homology model. The active site of RdRp was then identified and potential inhibitors of the protein were discovered with the use of pharmacophore-based screening.
Results: Ramachandran plot analysis revealed a favourable model. Upon binding of nucleoside analog, 4'- Azidocytidine, active site residues Trp1714 and Ser1713 took part in stabilizing hydrogen bonds, while Thr1716, Ser1478, Ser1476 and Glu1465 contributed to hydrophobic interactions. Pharmacophore based screening yielded 18 hits, of which ZINC00085930 demonstrated the most optimal binding energy (-8.1 kcal/mol), validating its use for further analysis as an inhibitor of NiV.
Conclusion: In this study we provide a critical guide, elucidating on the in silico requirements of the drug design and discovery process against NiV. This material lays a foundation for future research into the design and development of drugs that inhibit NiV.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.2174/1381612825666190620104203 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Risk of Nipah Virus Seroprevalence in Healthcare Workers: A Systematic Review with Meta-Analysis.
Viruses
January 2025
Pediatric Clinic, Department of Medicine and Surgery, University of Parma, 43126 Parma, Italy.
Nipah virus (NiV) is a zoonotic pathogen with the potential to cause human outbreaks with a high case fatality ratio. In this systematic review and meta-analysis, available evidence on NiV infections occurring in healthcare workers (HCWs) was collected and critically appraised. According to the PRISMA statement, four medical databases (PubMed, CINAHL, EMBASE, and Scopus) and the preprint repository medRixv were inquired through a specifically designed searching strategy.
View Article and Find Full Text PDFSurvey and Identification of Fusarium Head Blight Pathogens of Wheat in the Western Cape Region of South Africa.
Pathogens
January 2025
Plant Omics Laboratory, Department of Biotechnology, Faculty of Natural Sciences, University of the Western Cape, Robert Sobukwe Road, Bellville 7535, South Africa.
head blight (FHB) is a major disease affecting wheat production worldwide, caused by multiple species. In this study, seven strains were isolated from wheat fields across the Western Cape region of South Africa and identified through phylogenetic analysis. The strains were classified into three species complexes: the species complex (FGSC), species complex (FIESC), and species complex (FTSC).
View Article and Find Full Text PDFNipah Virus: A Zoonotic Threat Re-Emerging in the Wake of Global Public Health Challenges.
Microorganisms
January 2025
Department of Biomedical Sciences, University of Sassari, 07100 Sassari, Italy.
The re-emergence of the Nipah virus (NiV) in Kerala, India, following the tragic death of a 14-year-old boy, underscores the persistent threat posed by zoonotic pathogens and highlights the growing global public health challenge. With no vaccine or curative treatment available, and fatality rates as high as 94% in past outbreaks, the Nipah virus is a critical concern for health authorities worldwide. Transmitted primarily through contact with fruit bats or consumption of contaminated food, as well as direct human-to-human transmission, NiV remains a highly lethal and unpredictable pathogen.
View Article and Find Full Text PDFConstraints to the initiation of home non-invasive ventilation and short-term efficacy in different diagnostic groups (as a prelude to an ambulatory shift).
Respir Med Res
January 2025
Department of Respiratory and Sleep Medicine, Angers University hospital, Angers, France; MitoVasc, Carme, SFR ICAT, CNRS 6015, Inserm 1083, University of Angers, Angers, France. Electronic address:
Introduction: Non-invasive ventilation (NIV) is the reference treatment for chronic respiratory failure (CRF) due to impairment of the ventilatory system. Home initiation is increasingly practiced. To better support this ambulatory shift, we aimed to assess the implementation constraints and short-term efficacy according to different aetiologies of CRF.
View Article and Find Full Text PDFThoracic Electric Impedance Tomography Detects Lung Volume Changes in Amyotrophic Lateral Sclerosis.
Muscle Nerve
January 2025
Division of Neurology, Department of Medicine, University of Saskatchewan, Saskatoon, Saskatchewan, Canada.
Introduction/aims: Spirometry is the conventional means to measure lung function in amyotrophic lateral sclerosis (ALS), but is dependent on patient effort and bulbar strength. We aimed to use electric impedance tomography (EIT), an emerging non-invasive imaging modality, to measure dynamic lung volume changes.
Methods: Twenty-one patients with ALS underwent sitting and supine spirometry for forced vital capacity (FVC), and sitting and supine EIT.
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!