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Pharmaceuticals
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Antiviral Agents, 2024
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Antiviral Agents, 2024

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

Deadline for manuscript submissions: 25 September 2025 | Viewed by 6403

Special Issue Editor

Dr. Luis Octavio Regasini

E-Mail Website1 Website2
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
Special Issues, Collections and Topics in MDPI journals

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

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Pharmaceuticals is an international peer-reviewed open access monthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2900 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

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

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Published Papers (4 papers)

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Research

22 pages, 3558 KiB  
Article
Dengue Virus Inhibitors as Potential Broad-Spectrum Flavivirus Inhibitors
by Larisa Ivanova, Krystyna Naumenko, Margus Varjak, Sandra Koit, Yehudit Morozovsky, Andres Merits, Mati Karelson and Eva Zusinaite
Pharmaceuticals 2025, 18(3), 283; https://doi.org/10.3390/ph18030283 - 20 Feb 2025
Viewed by 636
Abstract
Background. Flaviviruses spread from endemic to non-endemic areas, causing illness in millions of people worldwide. The lack of effective therapies and the rapid expansion of flaviviral infections worldwide emphasize the importance of finding effective antivirals to treat such diseases. Objectives. To find out [...] Read more.
Background. Flaviviruses spread from endemic to non-endemic areas, causing illness in millions of people worldwide. The lack of effective therapies and the rapid expansion of flaviviral infections worldwide emphasize the importance of finding effective antivirals to treat such diseases. Objectives. To find out the potential broad-spectrum flavivirus inhibitors among previously reported inhibitors of DENV2/DENV4. Methods. The cytotoxicity of compounds was tested using WST-1 assay. The compounds were tested for their ability to inhibit the infection of DENV2, ZIKV, KUNV, and TBEV, and the most active compounds were also analyzed using the replicon-based assay. Interactions of one of the identified inhibitors with possible viral targets were studied using molecular dynamics simulations. Results. Two out of eight previously reported DENV2/DENV4 inhibitors demonstrated the ability to inhibit all studied viruses at low micromolar concentrations. Compound C6 demonstrated the ability to inhibit both DENV2 and TBEV. Compounds C1 (lycorine), C3 (mycophenolic acid), and C7 (vidarabine) were demonstrated as inhibitors of TBEV infection for the first time. Conclusions. Several compounds, previously described as inhibitors of DENV, are also able to inhibit other flaviviruses. This work is the first report on the anti-TBEV activity of lycorine (C1) and mycophenolic acid (C3), as well as vidarabine (C7). In addition, this is the first experimental confirmation of the antiviral activity of compound C5 and the lack of detectable antiviral activity of compound C8, demonstrating the necessity of experimental verification of the computational predictions. Full article
(This article belongs to the Special Issue Antiviral Agents, 2024)
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20 pages, 5226 KiB  
Article
p97 Inhibitors Possessing Antiviral Activity Against SARS-CoV-2 and Low Cytotoxicity
by Rui Ding, Tiffany C. Edwards, Prithwish Goswami, Daniel J. Wilson, Christine D. Dreis, Yihong Ye, Robert J. Geraghty and Liqiang Chen
Pharmaceuticals 2025, 18(1), 131; https://doi.org/10.3390/ph18010131 - 19 Jan 2025
Viewed by 1192
Abstract
Background: p97 (also known as valosin-containing protein, VCP) is a member of the AAA+ ATPase family and is intimately associated with protein quality control and homeostasis regulation. Therefore, pharmaceutical inhibition of p97 has been actively pursued as an anticancer strategy. Recently, p97 has [...] Read more.
Background: p97 (also known as valosin-containing protein, VCP) is a member of the AAA+ ATPase family and is intimately associated with protein quality control and homeostasis regulation. Therefore, pharmaceutical inhibition of p97 has been actively pursued as an anticancer strategy. Recently, p97 has emerged as an important pro-viral host factor and p97 inhibitors are being evaluated as potential antiviral agents. Methods: We designed and synthesized novel p97 inhibitors based on the rearrangement of the central fused ring of our previously reported p97 inhibitors. These compounds were tested for inhibition of p97, cytotoxicity, and antiviral activity against SARS-CoV-2. Molecular docking was also performed on selected inhibitors to shed light on their binding modes. Results: Among these new p97 inhibitors, two compounds possess enhanced anti-p97 activity over their parent compounds. More significantly, these two inhibitors exhibit strong antiviral activity against SARS-CoV-2 at doses with no significant cytotoxicity. Molecular docking reveals no major change of the binding mode relative to that of their parent compounds, further supporting our design strategy. Conclusions: These compounds are structurally novel p97 inhibitors that display low toxicity and possess promising antiviral activity against SARS-CoV-2 and potentially other viruses. Further structural exploration is therefore justified and improved analogs will serve as useful tools for studying p97 as a promising host antiviral target. Full article
(This article belongs to the Special Issue Antiviral Agents, 2024)
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15 pages, 3461 KiB  
Article
In Vitro Antiviral Activity of Rhodiola crenulata Extract against Zika Virus and Japanese Encephalitis Virus: Viral Binding and Stability
by Zheng-Zong Lai, I-Chuan Yen, Hao-Yuan Hung, Chen-Yang Hong, Chih-Wei Lai and Yen-Mei Lee
Pharmaceuticals 2024, 17(8), 988; https://doi.org/10.3390/ph17080988 - 26 Jul 2024
Viewed by 1467
Abstract
Zika virus (ZIKV) and Japanese encephalitis virus (JEV) can cause permanent neurological damage and death, yet no approved drugs exist for these infections. Rhodiola crenulate, an herb used in traditional Chinese medicine for its antioxidation and antifatigue properties, was studied for its antiviral [...] Read more.
Zika virus (ZIKV) and Japanese encephalitis virus (JEV) can cause permanent neurological damage and death, yet no approved drugs exist for these infections. Rhodiola crenulate, an herb used in traditional Chinese medicine for its antioxidation and antifatigue properties, was studied for its antiviral activity against ZIKV and JEV in vitro. The cytotoxicity of Rhodiola crenulata extract (RCE) was evaluated using the CCK-8 reagent. Antiviral effects of RCE were assessed in ZIKV-infected or JEV-infected Vero cells via quantitative reverse transcription polymerase chain reaction (qRT-PCR), Western blotting, fluorescent focus assay (FFA), and immunofluorescence assay (IFA). The cell-free antiviral effects of RCE were evaluated using an inactivation assay. To determine the stage of the viral life cycle affected by RCE, time-of-addition, binding, and entry assays were conducted. Three bioactive constituents of RCE (salidroside, tyrosol, and gallic acid) were tested for antiviral activity. RCE exhibited dose-dependent anti-ZIKV and anti-JEV activities at non-cytotoxic concentrations, which were likely achieved by disrupting viral binding and stability. Gallic acid exhibited antiviral activity against ZIKV and JEV. Our findings indicate that RCE disrupts viral binding and stability, presenting a potential strategy to treat ZIKV and JEV infections. Full article
(This article belongs to the Special Issue Antiviral Agents, 2024)
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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
Cited by 2 | Viewed by 2134
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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