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In Silico Approaches: A Way to Unveil Novel Therapeutic Drugs for Cervical Cancer Management

Cervical cancer (CC) is the fourth most common pathology in women worldwide and presents a high impact in developing countries due to limited financial resources as well as difficulties in monitoring and access to health services. Human papillomavirus (HPV) is the leading cause of CC, and despite th...

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Autores principales: Gomes, Diana, Silvestre, Samuel, Duarte, Ana Paula, Venuti, Aldo, Soares, Christiane P., Passarinha, Luís, Sousa, Ângela
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8400112/
https://www.ncbi.nlm.nih.gov/pubmed/34451838
http://dx.doi.org/10.3390/ph14080741
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author Gomes, Diana
Silvestre, Samuel
Duarte, Ana Paula
Venuti, Aldo
Soares, Christiane P.
Passarinha, Luís
Sousa, Ângela
author_facet Gomes, Diana
Silvestre, Samuel
Duarte, Ana Paula
Venuti, Aldo
Soares, Christiane P.
Passarinha, Luís
Sousa, Ângela
author_sort Gomes, Diana
collection PubMed
description Cervical cancer (CC) is the fourth most common pathology in women worldwide and presents a high impact in developing countries due to limited financial resources as well as difficulties in monitoring and access to health services. Human papillomavirus (HPV) is the leading cause of CC, and despite the approval of prophylactic vaccines, there is no effective treatment for patients with pre-existing infections or HPV-induced carcinomas. High-risk (HR) HPV E6 and E7 oncoproteins are considered biomarkers in CC progression. Since the E6 structure was resolved, it has been one of the most studied targets to develop novel and specific therapeutics to treat/manage CC. Therefore, several small molecules (plant-derived or synthetic compounds) have been reported as blockers/inhibitors of E6 oncoprotein action, and computational-aided methods have been of high relevance in their discovery and development. In silico approaches have become a powerful tool for reducing the time and cost of the drug development process. Thus, this review will depict small molecules that are already being explored as HR HPV E6 protein blockers and in silico approaches to the design of novel therapeutics for managing CC. Besides, future perspectives in CC therapy will be briefly discussed.
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spelling pubmed-84001122021-08-29 In Silico Approaches: A Way to Unveil Novel Therapeutic Drugs for Cervical Cancer Management Gomes, Diana Silvestre, Samuel Duarte, Ana Paula Venuti, Aldo Soares, Christiane P. Passarinha, Luís Sousa, Ângela Pharmaceuticals (Basel) Review Cervical cancer (CC) is the fourth most common pathology in women worldwide and presents a high impact in developing countries due to limited financial resources as well as difficulties in monitoring and access to health services. Human papillomavirus (HPV) is the leading cause of CC, and despite the approval of prophylactic vaccines, there is no effective treatment for patients with pre-existing infections or HPV-induced carcinomas. High-risk (HR) HPV E6 and E7 oncoproteins are considered biomarkers in CC progression. Since the E6 structure was resolved, it has been one of the most studied targets to develop novel and specific therapeutics to treat/manage CC. Therefore, several small molecules (plant-derived or synthetic compounds) have been reported as blockers/inhibitors of E6 oncoprotein action, and computational-aided methods have been of high relevance in their discovery and development. In silico approaches have become a powerful tool for reducing the time and cost of the drug development process. Thus, this review will depict small molecules that are already being explored as HR HPV E6 protein blockers and in silico approaches to the design of novel therapeutics for managing CC. Besides, future perspectives in CC therapy will be briefly discussed. MDPI 2021-07-29 /pmc/articles/PMC8400112/ /pubmed/34451838 http://dx.doi.org/10.3390/ph14080741 Text en © 2021 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Review
Gomes, Diana
Silvestre, Samuel
Duarte, Ana Paula
Venuti, Aldo
Soares, Christiane P.
Passarinha, Luís
Sousa, Ângela
In Silico Approaches: A Way to Unveil Novel Therapeutic Drugs for Cervical Cancer Management
title In Silico Approaches: A Way to Unveil Novel Therapeutic Drugs for Cervical Cancer Management
title_full In Silico Approaches: A Way to Unveil Novel Therapeutic Drugs for Cervical Cancer Management
title_fullStr In Silico Approaches: A Way to Unveil Novel Therapeutic Drugs for Cervical Cancer Management
title_full_unstemmed In Silico Approaches: A Way to Unveil Novel Therapeutic Drugs for Cervical Cancer Management
title_short In Silico Approaches: A Way to Unveil Novel Therapeutic Drugs for Cervical Cancer Management
title_sort in silico approaches: a way to unveil novel therapeutic drugs for cervical cancer management
topic Review
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8400112/
https://www.ncbi.nlm.nih.gov/pubmed/34451838
http://dx.doi.org/10.3390/ph14080741
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