Design, Synthesis and Development of Novel Antiviral Agents

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

Deadline for manuscript submissions: 30 October 2024 | Viewed by 1536

Special Issue Editor


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Guest Editor
Dipartimento di Scienze della Vita e dell’Ambiente (DiSVA), Università degli Studi di Cagliari, Cittadella Universitaria di Monserrato, 09124 Cagliari, Italy
Interests: medicinal chemistry; emerging viral diseases; computer-aided drug discovery (CADD)

Special Issue Information

Dear Colleagues,

The increase in infectious diseases related to emerging viruses (or the re-emergence of old ones) is still a "Hot Topic" nowadays [1]. Over the last four years, we have extensively discussed the most recent advances in the antiviral agents of SARS-CoV-2 and related coronaviruses (SARS and MERS). However, it is essential to underline that many other viruses are dangerous to human health. In this regard, the World Health Organization (WHO) released a list of pathogens that could cause future pandemics and outbreaks, recommending the scientific community to invest in research [2,3]. From this perspective, it is appropriate to keep up with and underline the progress made to date in the Design and Synthesis of new antiviral drugs, as well as the importance of in silico computational methodologies in the Development of antiviral drug discovery.

This Special Issue aims to collect original contributions and reviews that delve into the most recent research results related to the Design, Synthesis and Development of Novel Antiviral Agents to overcome the emergency of future viral outbreaks.       

We welcome original research, review, mini-review and perspective articles on themes including, but not limited to, the following:

  1. Rational design and synthesis;
  2. In silico drug design;
  3. Multi-target rational drug design;
  4. Drug repurposing proposals;
  5. Machine learning and deep learning in drug design in the antiviral field.

We invite authors to submit original manuscripts addressing all aspects of this topic.

References

  1. De Clercq E. Antivirals: Past, present and future. Biochem Pharmacol. 2013, 85, 727–744. doi:10.1016/j.bcp.2012.12.011.
  2. www.who.int/news/item/21-11-2022-who-to-identify-pathogens-that-could-cause-future-outbreaks-and-pandemics.
  3. www.who.int/activities/prioritizing-diseases-for-research-and-development-in-emergency-contexts.

Dr. Antonio Lupia
Guest Editor

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Keywords

  • viruses
  • emerging viral diseases
  • infectious diseases
  • antiviral agents
  • small molecules
  • structure−activity relationship (SAR) studies
  • drug design (DD) and synthesis
  • computer-aided drug discovery (CADD)
  • medicinal chemistry

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Published Papers (1 paper)

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Research

18 pages, 3106 KiB  
Article
A Dynamic and Effective Peptide-Based Strategy for Promptly Addressing Emerging SARS-CoV-2 Variants of Concern
by Michela Murdocca, Isabella Romeo, Gennaro Citro, Andrea Latini, Federica Centofanti, Antonella Bugatti, Francesca Caccuri, Arnaldo Caruso, Francesco Ortuso, Stefano Alcaro, Federica Sangiuolo and Giuseppe Novelli
Pharmaceuticals 2024, 17(7), 891; https://doi.org/10.3390/ph17070891 - 4 Jul 2024
Viewed by 1249
Abstract
Genomic surveillance based on sequencing the entire genetic code of SARS-CoV-2 involves monitoring and studying genetic changes and variations in disease-causing organisms such as viruses and bacteria. By tracing the virus, it is possible to prevent epidemic spread in the community, ensuring a [...] Read more.
Genomic surveillance based on sequencing the entire genetic code of SARS-CoV-2 involves monitoring and studying genetic changes and variations in disease-causing organisms such as viruses and bacteria. By tracing the virus, it is possible to prevent epidemic spread in the community, ensuring a ‘precision public health’ strategy. A peptide-based design was applied to provide an efficacious strategy that is able to counteract any emerging viral variant of concern dynamically and promptly to affect the outcomes of a pandemic at an early stage while waiting for the production of the anti-variant-specific vaccine, which require longer times. The inhibition of the interaction between the receptor-binding domain (RBD) of the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) and one of the cellular receptors (DPP4) that its receptors routinely bind to infect human cells is an intriguing therapeutic approach to prevent the virus from entering human cells. Among the other modalities developed for this purpose, peptides surely offer unique advantages, including ease of synthesis, serum stability, low immunogenicity and toxicity, and small production and distribution chain costs. Here, we obtained a potent new inhibitor based on the rearrangement of a previously identified peptide that has been rationally designed on a cell dipeptidyl peptidase 4 (DPP4) sequence, a ubiquitous membrane protein known to bind the RBD-SPIKE domain of the virus. This novel peptide (named DPP4-derived), conceived as an endogenous “drug”, is capable of targeting the latest tested variants with a high affinity, reducing the VSV* DG-Fluc pseudovirus Omicron’s infection capacity by up to 14%, as revealed by in vitro testing in human Calu-3 cells. Surface plasmon resonance (SPR) confirmed the binding affinity of the new DPP4-derived peptide with Omicron variant RBD. Full article
(This article belongs to the Special Issue Design, Synthesis and Development of Novel Antiviral Agents)
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