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Pathogens
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Antiviral and Virucidal Compounds: From Synthesis, to Screening, up to...
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Antiviral and Virucidal Compounds: From Synthesis, to Screening, up to Identification

A special issue of Pathogens (ISSN 2076-0817). This special issue belongs to the section "Viral Pathogens".

Deadline for manuscript submissions: closed (31 August 2024) | Viewed by 5567

Special Issue Editor

Dr. Anna Luganini

E-Mail Website
Guest Editor
Department of Life Sciences and Systems Biology, University of Torino, 10126 Turin, Italy
Interests: HCMV; HSV; RSV; influenza virus; coronavirus; virus-host interaction; antivirals; Innate immunity of viral infection

Special Issue Information

Dear Colleagues,

Over the past half century, a large number of emerging and re-emerging viral infectious diseases have emerged and have caused pandemics and epidemics all over the world. A repeated emergence of novel severe acute respiratory corona viruses (SARS, MERS and SARS-CoV-2) and epidemics/outbreaks of infectious diseases caused by many pathogenic viruses (influenza virus, dengue virus, norovirus, rabies virus, Ebola virus, Zika virus, etc.) threaten human health. Furthermore, transboundary viral animal diseases (e.g., highly pathogenic avian influenza, foot-and-mouth disease, classical swine fever and African swine fever) cause huge damage within animal health and the livestock industry.

The development of antiviral drugs is an important measure to reduce severity and death in infected human and animals. At the same time, virucidal agents contribute to a reduction in viral load in environments and the inhibition of virus transmission. With the increasing global threat of viral infections in recent years, the exploration and application of novel antiviral and virucidal compounds are of great interest. Under these circumstances, the expansion of the use of natural products as sources of candidate compounds, and the improvements of chemical synthesis technology, efficient high-throughput screening and in silico drug discovery analysis are accelerating the identification of prospective compounds.

For this purpose, we welcome the submission of full research articles, review articles, and short communications related, but not limited to the:

  • discovery of novel/unique antiviral and virucidal compounds;
  • mechanisms of action of these compounds;
  • development/improvement of antiviral therapy;
  • application of virucidal compounds for viral infection control measures.

We look forward to your valuable contributions.

Dr. Anna Luganini
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. Pathogens 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 2200 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 compounds
  • virucidal compounds
  • compound discovery
  • drug development
  • antiviral therapy
  • application of virus-inactivating agents

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Published Papers (3 papers)

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Research

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25 pages, 6325 KiB  
Article
An In Silico Approach to Discover Efficient Natural Inhibitors to Tie Up Epstein–Barr Virus Infection
by Ayan Das, Mumtaza Mumu, Tanjilur Rahman, Md Abu Sayeed, Md Mazharul Islam, John I. Alawneh and Mohammad Mahmudul Hassan
Pathogens 2024, 13(11), 928; https://doi.org/10.3390/pathogens13110928 - 25 Oct 2024
Viewed by 1156
Abstract
Epstein–Barr virus (EBV), also known as human herpesvirus 4, is a member of the herpes virus family. EBV is a widespread virus and causes infectious mononucleosis, which manifests with symptoms such as fever, fatigue, lymphadenopathy, splenomegaly, and hepatomegaly. Additionally, EBV is associated with [...] Read more.
Epstein–Barr virus (EBV), also known as human herpesvirus 4, is a member of the herpes virus family. EBV is a widespread virus and causes infectious mononucleosis, which manifests with symptoms such as fever, fatigue, lymphadenopathy, splenomegaly, and hepatomegaly. Additionally, EBV is associated with different lymphocyte-associated non-malignant, premalignant, and malignant diseases. So far, no effective treatment or therapeutic drug is known for EBV-induced infections and diseases. This study investigated natural compounds that inhibit EBV glycoprotein L (gL) and block EBV fusion in host cells. We utilised computational approaches, including molecular docking, in silico ADMET analysis, and molecular dynamics simulation. We docked 628 natural compounds against gL and identified the four best compounds based on binding scores and pharmacokinetic properties. These four compounds, with PubChem CIDs 4835509 (CHx-HHPD-Ac), 2870247 (Cyh-GlcNAc), 21206004 (Hep-HHPD-Ac), and 51066638 (Und-GlcNAc), showed several interactions with EBV gL. However, molecular dynamics simulations indicated that the protein–ligand complexes of CID: 4835509 (CHx-HHPD-Ac) and CID: 2870247 (Cyh-GlcNAc) are more stable than those of the other two compounds. Therefore, CIDs 4835509 and 2870247 (Cyh-GlcNAc) may be potent natural inhibitors of EBV infection. These findings can open a new way for effective drug design against EBV and its associated infections and diseases. Full article
(This article belongs to the Special Issue Antiviral and Virucidal Compounds: From Synthesis, to Screening, up to Identification)
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Review

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38 pages, 21087 KiB  
Review
Advances in the Search for SARS-CoV-2 Mpro and PLpro Inhibitors
by Marcel Arruda Diogo, Augusto Gomes Teixeira Cabral and Renata Barbosa de Oliveira
Pathogens 2024, 13(10), 825; https://doi.org/10.3390/pathogens13100825 - 24 Sep 2024
Viewed by 1114
Abstract
SARS-CoV-2 is a spherical, positive-sense, single-stranded RNA virus with a large genome, responsible for encoding both structural proteins, vital for the viral particle’s architecture, and non-structural proteins, critical for the virus’s replication cycle. Among the non-structural proteins, two cysteine proteases emerge as promising [...] Read more.
SARS-CoV-2 is a spherical, positive-sense, single-stranded RNA virus with a large genome, responsible for encoding both structural proteins, vital for the viral particle’s architecture, and non-structural proteins, critical for the virus’s replication cycle. Among the non-structural proteins, two cysteine proteases emerge as promising molecular targets for the design of new antiviral compounds. The main protease (Mpro) is a homodimeric enzyme that plays a pivotal role in the formation of the viral replication–transcription complex, associated with the papain-like protease (PLpro), a cysteine protease that modulates host immune signaling by reversing post-translational modifications of ubiquitin and interferon-stimulated gene 15 (ISG15) in host cells. Due to the importance of these molecular targets for the design and development of novel anti-SARS-CoV-2 drugs, the purpose of this review is to address aspects related to the structure, mechanism of action and strategies for the design of inhibitors capable of targeting the Mpro and PLpro. Examples of covalent and non-covalent inhibitors that are currently being evaluated in preclinical and clinical studies or already approved for therapy will be also discussed to show the advances in medicinal chemistry in the search for new molecules to treat COVID-19. Full article
(This article belongs to the Special Issue Antiviral and Virucidal Compounds: From Synthesis, to Screening, up to Identification)
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14 pages, 1179 KiB  
Review
Bee Venom and Its Two Main Components—Melittin and Phospholipase A2—As Promising Antiviral Drug Candidates
by Carole Yaacoub, Rim Wehbe, Rabih Roufayel, Ziad Fajloun and Bruno Coutard
Pathogens 2023, 12(11), 1354; https://doi.org/10.3390/pathogens12111354 - 15 Nov 2023
Cited by 3 | Viewed by 2782
Abstract
Viruses are known to infect most types of organisms. In humans, they can cause several diseases that range from mild to severe. Although many antiviral therapies have been developed, viral infections continue to be a leading cause of morbidity and mortality worldwide. Therefore, [...] Read more.
Viruses are known to infect most types of organisms. In humans, they can cause several diseases that range from mild to severe. Although many antiviral therapies have been developed, viral infections continue to be a leading cause of morbidity and mortality worldwide. Therefore, the discovery of new and effective antiviral agents is desperately needed. Animal venoms are a rich source of bioactive molecules found in natural goods that have been used since ancient times in alternative medicine to treat a variety of human diseases. Recently, and with the onset of the COVID-19 pandemic, scientists have regained their interest in the possible use of natural products, such as bee venom (BV), as a potential antiviral agent to treat viral infections. BV is known to exert many therapeutic activities such as anti-proliferative, anti-bacterial, and anti-inflammatory effects. However, there is limited discussion of the antiviral activity of BV in the literature. Therefore, this review aims to highlight the antiviral properties of BV and its two primary constituents, melittin (MEL) and phospholipase A2 (PLA2), against a variety of enveloped and non-enveloped viruses. Finally, the innovative strategies used to reduce the toxicity of BV and its two compounds for the development of new antiviral treatments are also considered. Full article
(This article belongs to the Special Issue Antiviral and Virucidal Compounds: From Synthesis, to Screening, up to Identification)
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