Antiviral Agents, 2024

A special issue of Pharmaceuticals (ISSN 1424-8247). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: 30 November 2024 | Viewed by 846

Special Issue Editor


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Guest Editor
Laboratory of Antibiotics and Chemotherapeutics, Department of Chemistry and Environmental Sciences, Institute of Biosciences, Humanities and Exact Sciences, São Paulo State University, São José do Rio Preto 15054-000, SP, Brazil
Interests: antiviral; helicase; polymerase; protease; arbovirus; influenza and HCV
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Special Issue Information

Dear Colleagues,

Antiviral agents are useful in tackling viral diseases where there is a lack of an effective vaccine or infection has already taken place. The viral cycle uses the host cell metabolism to replicate, and drug targets which are restricted to the virus are limited. Thus, the search for effective and selective antiviral compounds is an urgent. Our Special Issue celebrates natural and synthetic antiviral compounds with effects evaluated by phenotypical and molecular assays.

Dr. Luis Octavio Regasini
Guest Editor

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Keywords

  • antiviral
  • virus
  • arbovirus
  • drugs
  • protease
  • helicase
  • polymerase
  • reverse transcriptase

Published Papers (1 paper)

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Research

23 pages, 9396 KiB  
Article
Investigating the Antiviral Properties of Nyctanthes arbor-tristis Linn against the Ebola, SARS-CoV-2, Nipah, and Chikungunya Viruses: A Computational Simulation Study
by Raed Albiheyri, Varish Ahmad, Mohammad Imran Khan, Faisal A. Alzahrani and Qazi Mohammad Sajid Jamal
Pharmaceuticals 2024, 17(5), 581; https://doi.org/10.3390/ph17050581 - 30 Apr 2024
Viewed by 691
Abstract
Background: The hunt for naturally occurring antiviral compounds to combat viral infection was expedited when COVID-19 and Ebola spread rapidly. Phytochemicals from Nyctanthes arbor-tristis Linn were evaluated as significant inhibitors of these viruses. Methods: Computational tools and techniques were used to assess the [...] Read more.
Background: The hunt for naturally occurring antiviral compounds to combat viral infection was expedited when COVID-19 and Ebola spread rapidly. Phytochemicals from Nyctanthes arbor-tristis Linn were evaluated as significant inhibitors of these viruses. Methods: Computational tools and techniques were used to assess the binding pattern of phytochemicals from Nyctanthes arbor-tristis Linn to Ebola virus VP35, SARS-CoV-2 protease, Nipah virus glycoprotein, and chikungunya virus. Results: Virtual screening and AutoDock analysis revealed that arborside-C, beta amyrin, and beta-sitosterol exhibited a substantial binding affinity for specific viral targets. The arborside-C and beta-sitosterol molecules were shown to have binding energies of −8.65 and −9.11 kcal/mol, respectively, when interacting with the major protease. Simultaneously, the medication remdesivir exhibited a control value of −6.18 kcal/mol. The measured affinity of phytochemicals for the other investigated targets was −7.52 for beta-amyrin against Ebola and −6.33 kcal/mol for nicotiflorin against Nipah virus targets. Additional molecular dynamics simulation (MDS) conducted on the molecules with significant antiviral potential, specifically the beta-amyrin-VP35 complex showing a stable RMSD pattern, yielded encouraging outcomes. Conclusions: Arborside-C, beta-sitosterol, beta-amyrin, and nicotiflorin could be established as excellent natural antiviral compounds derived from Nyctanthes arbor-tristis Linn. The virus-suppressing phytochemicals in this plant make it a compelling target for both in vitro and in vivo research in the future. Full article
(This article belongs to the Special Issue Antiviral Agents, 2024)
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