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Discovery of New Antiviral Substances

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".

Deadline for manuscript submissions: closed (31 May 2022) | Viewed by 9748

Special Issue Editor


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Guest Editor
Department of Virology, The Stephan Angeloff Institute of Microbiology, Bulgarian Academy of Sciences, Sofia, Bulgaria

Special Issue Information

Dear Colleagues,

The chemotherapy of viral infectious diseases is taking an increasingly significant role in the fight against viral infections. This comes as a result of the growing share of infectious diseases in human pathology as well as in the pathology of domestic animals. Vaccine administration is important, and progress has been made in this area, based mainly on technological advances. Nevertheless, the etiotropic therapy of viral infections proves successful mostly through the administration of chemotherapeutic agents.

In recent years, we have witnessed the development of antivirals with high clinical effectiveness against hepatitis C. Effective anti-influenza chemotherapeutics have been introduced. Chemotherapy of HIV infection and infection caused by herpes simplex viruses is becoming more and more widely used in the therapeutic practice. There have been certain advancements in the treatment of adenovirus-induced epidemic keratoconjunctivitis and hepatitis B. The Fort Detrick data on the effective treatment of smallpox are also noteworthy.

The obvious progress made in the field of antiviral chemotherapy is primarily due to: (a) the growing understanding of the molecular biology of viruses; (b) advances in the chemistry of synthetic and natural substances (viral protein ligands and nucleoside analogues); planned synthesis based on quantitative structure–activity relationship; (c) the improvement of the methodology for the study of antiviral substances (in vitro models—including cell-free systems—in vivo models, as well as double-blind clinical trials); (d) the refinement and clarification of the indications for the use of antiviral chemotherapy (especially for dangerous viral infections, infections caused by groups of viruses of multiple types, e.g., rhino-viruses, and by viruses of abnormally high variability, such as influenza A and B, enteroviruses, or caused by viruses whose population is composed of pseudotypes accounting for diverse clinical patterns).

An important step in the etiotropic therapy of viral infections is the use of combinations of antivirals and of combinations of viral replication inhibitors and biological response modifiers (immunomodulators, antioxidants, etc).

The purpose of this Special Issue is to present new effective solutions in antiviral chemotherapy based on the aforementioned research approaches.

Prof. Dr. Angel S. Galabov
Guest Editor

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Keywords

  • antiviral chemotherapy
  • virus replication inhibitors
  • antivirals

Published Papers (2 papers)

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9 pages, 2097 KiB  
Article
Computational Evaluation of Abrogation of HBx-Bcl-xL Complex with High-Affinity Carbon Nanotubes (Fullerene) to Halt the Hepatitis B Virus Replication
by Abbas Khan, Omar Ahsan, Dong-Qing Wei, Jawad Khaliq Ansari, Muzammil Hasan Najmi, Khalid Muhammad and Yasir Waheed
Molecules 2021, 26(21), 6433; https://doi.org/10.3390/molecules26216433 - 25 Oct 2021
Cited by 4 | Viewed by 1969
Abstract
Hepatitis B virus (HBV) is the world’s most prevalent chronic viral infection. More than 350 million individuals are chronic carriers of the virus, with an estimated 2 billion infected persons. For instance, the role of HBx protein in attachment and infection is very [...] Read more.
Hepatitis B virus (HBV) is the world’s most prevalent chronic viral infection. More than 350 million individuals are chronic carriers of the virus, with an estimated 2 billion infected persons. For instance, the role of HBx protein in attachment and infection is very obvious and consequently deemed as an important druggable target. Targeting the interface and discovering novel drugs greatly advanced the field of therapeutics development. Therefore, in the current study, HBx to Bcl-xL is abrogated on high-affinity carbon nanotubes using computational structural biology tools. Our analysis revealed that among the total 62 carbon fullerenes, only 13 compounds exhibited inhibitory activity against HBx, which was further confirmed through IFD-based rescoring. Structural dynamics investigation revealed stable binding, compactness, and hydrogen bonds reprogramming. Moreover, the binding free energy calculation results revealed that the top hits1-4 possess the total binding energy of −54.36 kcal/mol (hit1), −50.81 kcal/mol (hit2), −47.09 kcal/mol (hit3), and −45.59 kcal/mol for hit4. In addition, the predicted KD values and bioactivity scores further validated the inhibitory potential of these top hits. The identified compounds need further in vitro and in vivo validation to aid the treatment process of HBV. Full article
(This article belongs to the Special Issue Discovery of New Antiviral Substances)
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16 pages, 1680 KiB  
Review
DEAD-box RNA Helicase DDX3: Functional Properties and Development of DDX3 Inhibitors as Antiviral and Anticancer Drugs
by Marina K. Kukhanova, Inna L. Karpenko and Alexander V. Ivanov
Molecules 2020, 25(4), 1015; https://doi.org/10.3390/molecules25041015 - 24 Feb 2020
Cited by 48 | Viewed by 7234
Abstract
This short review is focused on enzymatic properties of human ATP-dependent RNA helicase DDX3 and the development of antiviral and anticancer drugs targeting cellular helicases. DDX3 belongs to the DEAD-box proteins, a large family of RNA helicases that participate in all aspects of [...] Read more.
This short review is focused on enzymatic properties of human ATP-dependent RNA helicase DDX3 and the development of antiviral and anticancer drugs targeting cellular helicases. DDX3 belongs to the DEAD-box proteins, a large family of RNA helicases that participate in all aspects of cellular processes, such as cell cycle progression, apoptosis, innate immune response, viral replication, and tumorigenesis. DDX3 has a variety of functions in the life cycle of different viruses. DDX3 helicase is required to facilitate both the Rev-mediated export of unspliced/partially spliced human immunodeficiency virus (HIV) RNA from nucleus and Tat-dependent translation of viral genes. DDX3 silencing blocks the replication of HIV, HCV, and some other viruses. On the other hand, DDX displays antiviral effect against Dengue virus and hepatitis B virus through the stimulation of interferon beta production. The role of DDX3 in different types of cancer is rather controversial. DDX3 acts as an oncogene in one type of cancer, but demonstrates tumor suppressor properties in other types. The human DDX3 helicase is now considered as a new attractive target for the development of novel pharmaceutical drugs. The most interesting inhibitors of DDX3 helicase and the mechanisms of their actions as antiviral or anticancer drugs are discussed in this short review. Full article
(This article belongs to the Special Issue Discovery of New Antiviral Substances)
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