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Molecular docking study and antiviral evaluation of 2-thioxo-benzo[g]quinazolin-4(3H)-one derivatives

BACKGROUND: The persistent appearance of viral strains that causes a resistant viral infection has led to continuous trials for the design and development of novel antiviral compounds. Benzoquinazoline compounds have been reported to exhibit an interesting antiviral activity. This work aims to study...

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Autores principales: Al-Salahi, Rashad, Abuelizz, Hatem A., Ghabbour, Hazem A., El-Dib, Rabab, Marzouk, Mohamed
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4837545/
https://www.ncbi.nlm.nih.gov/pubmed/27099618
http://dx.doi.org/10.1186/s13065-016-0168-x
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author Al-Salahi, Rashad
Abuelizz, Hatem A.
Ghabbour, Hazem A.
El-Dib, Rabab
Marzouk, Mohamed
author_facet Al-Salahi, Rashad
Abuelizz, Hatem A.
Ghabbour, Hazem A.
El-Dib, Rabab
Marzouk, Mohamed
author_sort Al-Salahi, Rashad
collection PubMed
description BACKGROUND: The persistent appearance of viral strains that causes a resistant viral infection has led to continuous trials for the design and development of novel antiviral compounds. Benzoquinazoline compounds have been reported to exhibit an interesting antiviral activity. This work aims to study and evaluate the antiviral activity of a newly prepared 2-thioxo-benzo[g]quinazolin-4(3H)-one series against herpes simplex (HSV-1 & 2) and coxsackievirus (CVB4). METHODS: The antiviral activity was performed using the MTT assay, in which Vero cells (obtained from the American Type Culture Collection, ATCC) were propagated in fresh Dulbecco’s Modified Eagle’s Medium (DMEM) and challenged with 10(4) doses of the virus. Thereafter, the cultures were treated simultaneously with two-fold serial dilutions of the tested compound and incubated at 37 °C for 48 h. Molecular docking studies were done on the CVB4 2A proteinase enzyme using Molegro Virtual Docker software. RESULTS: The cytotoxicity (CC(50)), effective concentration (EC(50)) and the selectivity index (SI) values were determined. Based on their EC(50) values, a number of the investigated compounds demonstrated weak to moderate activity relative to their parents. Accordingly, compounds 5–9, 11, 15–18, 21, 22, 24, 25, 27 and 28 were active against CVB4, and compounds 5 and 24 were active against HSV-1 and 2 in comparison to ribavirin and acyclovir, which were used as reference drugs. CONCLUSION: The obtained results gave us some useful insights about the characteristic requirements for future trials to build up and design more active and selective antiviral 2-thioxo-benzo[g]quinazolin-4(3H)-one agents. [Figure: see text]
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spelling pubmed-48375452016-04-21 Molecular docking study and antiviral evaluation of 2-thioxo-benzo[g]quinazolin-4(3H)-one derivatives Al-Salahi, Rashad Abuelizz, Hatem A. Ghabbour, Hazem A. El-Dib, Rabab Marzouk, Mohamed Chem Cent J Research Article BACKGROUND: The persistent appearance of viral strains that causes a resistant viral infection has led to continuous trials for the design and development of novel antiviral compounds. Benzoquinazoline compounds have been reported to exhibit an interesting antiviral activity. This work aims to study and evaluate the antiviral activity of a newly prepared 2-thioxo-benzo[g]quinazolin-4(3H)-one series against herpes simplex (HSV-1 & 2) and coxsackievirus (CVB4). METHODS: The antiviral activity was performed using the MTT assay, in which Vero cells (obtained from the American Type Culture Collection, ATCC) were propagated in fresh Dulbecco’s Modified Eagle’s Medium (DMEM) and challenged with 10(4) doses of the virus. Thereafter, the cultures were treated simultaneously with two-fold serial dilutions of the tested compound and incubated at 37 °C for 48 h. Molecular docking studies were done on the CVB4 2A proteinase enzyme using Molegro Virtual Docker software. RESULTS: The cytotoxicity (CC(50)), effective concentration (EC(50)) and the selectivity index (SI) values were determined. Based on their EC(50) values, a number of the investigated compounds demonstrated weak to moderate activity relative to their parents. Accordingly, compounds 5–9, 11, 15–18, 21, 22, 24, 25, 27 and 28 were active against CVB4, and compounds 5 and 24 were active against HSV-1 and 2 in comparison to ribavirin and acyclovir, which were used as reference drugs. CONCLUSION: The obtained results gave us some useful insights about the characteristic requirements for future trials to build up and design more active and selective antiviral 2-thioxo-benzo[g]quinazolin-4(3H)-one agents. [Figure: see text] Springer International Publishing 2016-04-19 /pmc/articles/PMC4837545/ /pubmed/27099618 http://dx.doi.org/10.1186/s13065-016-0168-x Text en © Al-Salahi et al. 2016 Open AccessThis article is distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/) applies to the data made available in this article, unless otherwise stated.
spellingShingle Research Article
Al-Salahi, Rashad
Abuelizz, Hatem A.
Ghabbour, Hazem A.
El-Dib, Rabab
Marzouk, Mohamed
Molecular docking study and antiviral evaluation of 2-thioxo-benzo[g]quinazolin-4(3H)-one derivatives
title Molecular docking study and antiviral evaluation of 2-thioxo-benzo[g]quinazolin-4(3H)-one derivatives
title_full Molecular docking study and antiviral evaluation of 2-thioxo-benzo[g]quinazolin-4(3H)-one derivatives
title_fullStr Molecular docking study and antiviral evaluation of 2-thioxo-benzo[g]quinazolin-4(3H)-one derivatives
title_full_unstemmed Molecular docking study and antiviral evaluation of 2-thioxo-benzo[g]quinazolin-4(3H)-one derivatives
title_short Molecular docking study and antiviral evaluation of 2-thioxo-benzo[g]quinazolin-4(3H)-one derivatives
title_sort molecular docking study and antiviral evaluation of 2-thioxo-benzo[g]quinazolin-4(3h)-one derivatives
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4837545/
https://www.ncbi.nlm.nih.gov/pubmed/27099618
http://dx.doi.org/10.1186/s13065-016-0168-x
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