Evaluación In Silico De La Afinidad De 12 Moléculas Sobre Proteínas Involucradas En La Formación De Biopelicula De Streptococcus Mutans

Of the infectious diseases affecting humans, dental caries is probably the most prevalent. Dental caries is described as a dynamic process of demineralization and remineralization, a product of bacterial metabolism on the tooth surface, which over time can produce a net loss of minerals and possibly...

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Autores:
Zapata Tovar, Allison Nataly
Trejos Perez, Valentina
Martinez Correa, Daniela
Tipo de recurso:
Trabajo de grado de pregrado
Fecha de publicación:
2022
Institución:
Universidad Antonio Nariño
Repositorio:
Repositorio UAN
Idioma:
spa
OAI Identifier:
oai:repositorio.uan.edu.co:123456789/8774
Acceso en línea:
http://repositorio.uan.edu.co/handle/123456789/8774
Palabra clave:
Caries dental
bioinformática
S. mutans
Dental caries
Bioinformatics
S. mutans
Rights
openAccess
License
Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)
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dc.title.es_ES.fl_str_mv Evaluación In Silico De La Afinidad De 12 Moléculas Sobre Proteínas Involucradas En La Formación De Biopelicula De Streptococcus Mutans
title Evaluación In Silico De La Afinidad De 12 Moléculas Sobre Proteínas Involucradas En La Formación De Biopelicula De Streptococcus Mutans
spellingShingle Evaluación In Silico De La Afinidad De 12 Moléculas Sobre Proteínas Involucradas En La Formación De Biopelicula De Streptococcus Mutans
Caries dental
bioinformática
S. mutans
Dental caries
Bioinformatics
S. mutans
title_short Evaluación In Silico De La Afinidad De 12 Moléculas Sobre Proteínas Involucradas En La Formación De Biopelicula De Streptococcus Mutans
title_full Evaluación In Silico De La Afinidad De 12 Moléculas Sobre Proteínas Involucradas En La Formación De Biopelicula De Streptococcus Mutans
title_fullStr Evaluación In Silico De La Afinidad De 12 Moléculas Sobre Proteínas Involucradas En La Formación De Biopelicula De Streptococcus Mutans
title_full_unstemmed Evaluación In Silico De La Afinidad De 12 Moléculas Sobre Proteínas Involucradas En La Formación De Biopelicula De Streptococcus Mutans
title_sort Evaluación In Silico De La Afinidad De 12 Moléculas Sobre Proteínas Involucradas En La Formación De Biopelicula De Streptococcus Mutans
dc.creator.fl_str_mv Zapata Tovar, Allison Nataly
Trejos Perez, Valentina
Martinez Correa, Daniela
dc.contributor.advisor.spa.fl_str_mv Rivera Quiroga, Raul Eduardo
dc.contributor.author.spa.fl_str_mv Zapata Tovar, Allison Nataly
Trejos Perez, Valentina
Martinez Correa, Daniela
dc.subject.es_ES.fl_str_mv Caries dental
bioinformática
S. mutans
topic Caries dental
bioinformática
S. mutans
Dental caries
Bioinformatics
S. mutans
dc.subject.keyword.es_ES.fl_str_mv Dental caries
Bioinformatics
S. mutans
description Of the infectious diseases affecting humans, dental caries is probably the most prevalent. Dental caries is described as a dynamic process of demineralization and remineralization, a product of bacterial metabolism on the tooth surface, which over time can produce a net loss of minerals and possibly, but not always, result in the presence of a cavity. Oral bacteria belong to a complex community of numerous species that participate in the formation of bacterial plaque (biofilm or biofilm) with all its functions, interactions and properties. The current concept contemplates that several microorganisms are included in the pathogenesis of dental caries, with Streptococcus mutans being the most important agent associated with it. Streptococcus mutans has different proteins involved in biofilm formation. Bioinformatics strategies for the search of drugs for the treatment of different diseases can be used in dentistry, so with this work it was possible to evaluate In silico the affinity of twelve molecules on proteins involved in the biofilm formation of Streptococcus mutans. Twelve molecules previously reported by (Rivera-Quiroga et al., 2021) were selected and remote docking with six proteins GBP-C, CE4 esterase, GTF-C, sortase A and two Ag I/II domains were performed to identify the affinity of these molecules on these proteins
publishDate 2022
dc.date.issued.spa.fl_str_mv 2022-06-21
dc.date.accessioned.none.fl_str_mv 2023-10-07T12:56:25Z
dc.date.available.none.fl_str_mv 2023-10-07T12:56:25Z
dc.type.spa.fl_str_mv Trabajo de grado (Pregrado y/o Especialización)
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dc.identifier.uri.none.fl_str_mv http://repositorio.uan.edu.co/handle/123456789/8774
dc.identifier.bibliographicCitation.spa.fl_str_mv Accelrys. (2006). Introduction to the Discovery Studio Visualizer. 1–31.
Ajdić, D., McShan, W. M., McLaughlin, R. E., Savić, G., Chang, J., Carson, M. B., Primeaux, C., Tian, R., Kenton, S., Jia, H., Lin, S., Qian, Y., Li, S., Zhu, H., Najar, F., Lai, H., White, J., Roe, B. A., & Ferretti, J. J. (2002). Genome sequence of Streptococcus mutans UA159, a cariogenic dental pathogen. Proceedings of the National Academy of Sciences of the United States of America, 99(22), 14434–14439. https://doi.org/10.1073/pnas.172501299
Allouche, A. (2012). Software News and Updates Gabedit — A Graphical User Interface for Computational Chemistry Softwares. Journal of Computational Chemistry, 32, 174–182. https://doi.org/10.1002/jcc
Bai, G., Tian, Y., Wu, J., Gu, Y., Chen, Z., Zeng, F., & Liu, J. (2019). Construction of a fusion anti-caries DNA vaccine in transgenic tomato plants for PAcA gene and cholera toxin B subunit. Biotechnology and Applied Biochemistry, 66(6), 924–929. https://doi.org/10.1002/bab.1806
Berman. (2000). The Protein Data Bank. 2000 Oxford University Press, 28(5), 235–242. https://doi.org/10.1038/s41577-020-00473-z
Clarke, T. K. (1975). Streptococcus mutans and dental caries. British Medical Journal, 4(5997), 647–648. https://doi.org/10.1136/bmj.4.5997.647-d
Crowley, P. J., Brady, L. J., Michalek, S. M., & Bleiweis, A. S. (1999). Virulence of a spaP mutant of Streptococcus mutans in a gnotobiotic rat model. Infection and Immunity, 67(3), 1201–1206. https://doi.org/10.1128/iai.67.3.1201-1206.1999
Deng, D. M., Urch, J. E., ten Cate, J. M., Rao, V. A., van Aalten, D. M. F., & Crielaard, W. (2009). Streptococcus mutans SMU.623c codes for a functional, metal-dependent polysaccharide deacetylase that modulates interactions with salivary agglutinin. Journal of Bacteriology, 191(1), 394–402. https://doi.org/10.1128/JB.00838-08
Gao, X., Jiang, S., Koh, D., & Hsu, C. Y. S. (2016). Salivary biomarkers for dental caries. Periodontology 2000, 70(1), 128–141. https://doi.org/10.1111/prd.12100
Herrera, I. R. (2012). Prevalencia de caries dental y factores de riesgo asociados. Revista Cubana de Medicina Militar.
dc.identifier.instname.spa.fl_str_mv instname:Universidad Antonio Nariño
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url http://repositorio.uan.edu.co/handle/123456789/8774
identifier_str_mv Accelrys. (2006). Introduction to the Discovery Studio Visualizer. 1–31.
Ajdić, D., McShan, W. M., McLaughlin, R. E., Savić, G., Chang, J., Carson, M. B., Primeaux, C., Tian, R., Kenton, S., Jia, H., Lin, S., Qian, Y., Li, S., Zhu, H., Najar, F., Lai, H., White, J., Roe, B. A., & Ferretti, J. J. (2002). Genome sequence of Streptococcus mutans UA159, a cariogenic dental pathogen. Proceedings of the National Academy of Sciences of the United States of America, 99(22), 14434–14439. https://doi.org/10.1073/pnas.172501299
Allouche, A. (2012). Software News and Updates Gabedit — A Graphical User Interface for Computational Chemistry Softwares. Journal of Computational Chemistry, 32, 174–182. https://doi.org/10.1002/jcc
Bai, G., Tian, Y., Wu, J., Gu, Y., Chen, Z., Zeng, F., & Liu, J. (2019). Construction of a fusion anti-caries DNA vaccine in transgenic tomato plants for PAcA gene and cholera toxin B subunit. Biotechnology and Applied Biochemistry, 66(6), 924–929. https://doi.org/10.1002/bab.1806
Berman. (2000). The Protein Data Bank. 2000 Oxford University Press, 28(5), 235–242. https://doi.org/10.1038/s41577-020-00473-z
Clarke, T. K. (1975). Streptococcus mutans and dental caries. British Medical Journal, 4(5997), 647–648. https://doi.org/10.1136/bmj.4.5997.647-d
Crowley, P. J., Brady, L. J., Michalek, S. M., & Bleiweis, A. S. (1999). Virulence of a spaP mutant of Streptococcus mutans in a gnotobiotic rat model. Infection and Immunity, 67(3), 1201–1206. https://doi.org/10.1128/iai.67.3.1201-1206.1999
Deng, D. M., Urch, J. E., ten Cate, J. M., Rao, V. A., van Aalten, D. M. F., & Crielaard, W. (2009). Streptococcus mutans SMU.623c codes for a functional, metal-dependent polysaccharide deacetylase that modulates interactions with salivary agglutinin. Journal of Bacteriology, 191(1), 394–402. https://doi.org/10.1128/JB.00838-08
Gao, X., Jiang, S., Koh, D., & Hsu, C. Y. S. (2016). Salivary biomarkers for dental caries. Periodontology 2000, 70(1), 128–141. https://doi.org/10.1111/prd.12100
Herrera, I. R. (2012). Prevalencia de caries dental y factores de riesgo asociados. Revista Cubana de Medicina Militar.
instname:Universidad Antonio Nariño
reponame:Repositorio Institucional UAN
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eu_rights_str_mv openAccess
dc.coverage.spatial.spa.fl_str_mv Aremenia, Quindio , Colombia
dc.publisher.spa.fl_str_mv Universidad Antonio Nariño
dc.publisher.program.spa.fl_str_mv Odontología
dc.publisher.faculty.spa.fl_str_mv Facultad de Odontología
dc.publisher.campus.spa.fl_str_mv Armenia
institution Universidad Antonio Nariño
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spelling Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)Acceso abiertohttps://creativecommons.org/licenses/by-nc-nd/4.0/info:eu-repo/semantics/openAccesshttp://purl.org/coar/access_right/c_abf2Rivera Quiroga, Raul EduardoZapata Tovar, Allison NatalyTrejos Perez, ValentinaMartinez Correa, Daniela205717224862057172866020571725506Aremenia, Quindio , Colombia2023-10-07T12:56:25Z2023-10-07T12:56:25Z2022-06-21http://repositorio.uan.edu.co/handle/123456789/8774Accelrys. (2006). Introduction to the Discovery Studio Visualizer. 1–31.Ajdić, D., McShan, W. M., McLaughlin, R. E., Savić, G., Chang, J., Carson, M. B., Primeaux, C., Tian, R., Kenton, S., Jia, H., Lin, S., Qian, Y., Li, S., Zhu, H., Najar, F., Lai, H., White, J., Roe, B. A., & Ferretti, J. J. (2002). Genome sequence of Streptococcus mutans UA159, a cariogenic dental pathogen. Proceedings of the National Academy of Sciences of the United States of America, 99(22), 14434–14439. https://doi.org/10.1073/pnas.172501299Allouche, A. (2012). Software News and Updates Gabedit — A Graphical User Interface for Computational Chemistry Softwares. Journal of Computational Chemistry, 32, 174–182. https://doi.org/10.1002/jccBai, G., Tian, Y., Wu, J., Gu, Y., Chen, Z., Zeng, F., & Liu, J. (2019). Construction of a fusion anti-caries DNA vaccine in transgenic tomato plants for PAcA gene and cholera toxin B subunit. Biotechnology and Applied Biochemistry, 66(6), 924–929. https://doi.org/10.1002/bab.1806Berman. (2000). The Protein Data Bank. 2000 Oxford University Press, 28(5), 235–242. https://doi.org/10.1038/s41577-020-00473-zClarke, T. K. (1975). Streptococcus mutans and dental caries. British Medical Journal, 4(5997), 647–648. https://doi.org/10.1136/bmj.4.5997.647-dCrowley, P. J., Brady, L. J., Michalek, S. M., & Bleiweis, A. S. (1999). Virulence of a spaP mutant of Streptococcus mutans in a gnotobiotic rat model. Infection and Immunity, 67(3), 1201–1206. https://doi.org/10.1128/iai.67.3.1201-1206.1999Deng, D. M., Urch, J. E., ten Cate, J. M., Rao, V. A., van Aalten, D. M. F., & Crielaard, W. (2009). Streptococcus mutans SMU.623c codes for a functional, metal-dependent polysaccharide deacetylase that modulates interactions with salivary agglutinin. Journal of Bacteriology, 191(1), 394–402. https://doi.org/10.1128/JB.00838-08Gao, X., Jiang, S., Koh, D., & Hsu, C. Y. S. (2016). Salivary biomarkers for dental caries. Periodontology 2000, 70(1), 128–141. https://doi.org/10.1111/prd.12100Herrera, I. R. (2012). Prevalencia de caries dental y factores de riesgo asociados. Revista Cubana de Medicina Militar.instname:Universidad Antonio Nariñoreponame:Repositorio Institucional UANrepourl:https://repositorio.uan.edu.co/Of the infectious diseases affecting humans, dental caries is probably the most prevalent. Dental caries is described as a dynamic process of demineralization and remineralization, a product of bacterial metabolism on the tooth surface, which over time can produce a net loss of minerals and possibly, but not always, result in the presence of a cavity. Oral bacteria belong to a complex community of numerous species that participate in the formation of bacterial plaque (biofilm or biofilm) with all its functions, interactions and properties. The current concept contemplates that several microorganisms are included in the pathogenesis of dental caries, with Streptococcus mutans being the most important agent associated with it. Streptococcus mutans has different proteins involved in biofilm formation. Bioinformatics strategies for the search of drugs for the treatment of different diseases can be used in dentistry, so with this work it was possible to evaluate In silico the affinity of twelve molecules on proteins involved in the biofilm formation of Streptococcus mutans. Twelve molecules previously reported by (Rivera-Quiroga et al., 2021) were selected and remote docking with six proteins GBP-C, CE4 esterase, GTF-C, sortase A and two Ag I/II domains were performed to identify the affinity of these molecules on these proteinsDe las enfermedades infecciosas que afectan a los seres humanos, la caries dental es probablemente la más prevalente. Se describe la caries dental como un proceso dinámico de desmineralización y remineralización, producto del metabolismo bacteriano sobre la superficie dentaria, que con el tiempo puede producir una pérdida neta de minerales y posiblemente, aunque no siempre, resultará en la presencia de una cavidad. Las bacterias orales pertenecen a una comunidad compleja de numerosas especies que participan en la formación de la placa bacteriana (biofilm o biopelículas) con todas sus funciones, interacciones y propiedades. El concepto actual contempla que varios microorganismos se incluyen en la patogénesis de la caries dental, siendo el Streptococcus mutans (S. mutans) es el agente más importante asociado a ella. El Streptococcus mutans tiene diferentes proteínas involucradas en la formación de biofilm. Las estrategias bioinformáticas para la búsqueda de fármacos que sirvan para el tratamiento de diferentes enfermedades, pueden ser utilizados en la odontología, por eso con este trabajo se logró evaluar In silico la afinidad de doce moléculas sobre proteínas involucradas en la formación de biofilm del Streptococcus mutans. Se seleccionaron doce moléculas previamente reportadas por (Rivera-Quiroga et al., 2021) y se realizaron acoplamientos remotos con seis proteínas GBPC, esterasa CE4, GTF-C, sortasa A y dos dominios del Ag I/II para identificar la afinidad de estas moléculas sobre dichas proteínas.Odontólogo(a)PregradoPresencialInvestigaciónspaUniversidad Antonio NariñoOdontologíaFacultad de OdontologíaArmeniaCaries dentalbioinformáticaS. mutansDental cariesBioinformaticsS. mutansEvaluación In Silico De La Afinidad De 12 Moléculas Sobre Proteínas Involucradas En La Formación De Biopelicula De Streptococcus MutansTrabajo de grado (Pregrado y/o Especialización)http://purl.org/coar/resource_type/c_7a1fhttp://purl.org/coar/version/c_970fb48d4fbd8a85GeneralORIGINAL2023_AllisonNatallyZapataTovar2023_AllisonNatallyZapataTovarDocumento finalapplication/pdf6337700https://repositorio.uan.edu.co/bitstreams/e1fca52e-7da6-42c2-a5e0-ab9df57d1989/download9f0a4440152175ada0af50c3348a381cMD562023_AllisonNatallyZapataTovar_Acta2023_AllisonNatallyZapataTovar_ActaActa sustentaciónapplication/pdf406846https://repositorio.uan.edu.co/bitstreams/b955f79d-1a9c-4af4-abc9-15307c53e06c/downloadf067c9d9b5decfab09d4e3d84b61e4b7MD522023_AllisonNatallyZapataTovar_Autorización12023_AllisonNatallyZapataTovar_Autorización1Formato Biblioteca1application/pdf473444https://repositorio.uan.edu.co/bitstreams/3c1968cf-381e-4018-95a1-1fa71689bf42/download54e955e6d01a1fd33f3e9e73ae891b73MD532023_AllisonNatallyZapataTovar_Autorización22023_AllisonNatallyZapataTovar_Autorización2Formato Biblioteca2application/pdf269723https://repositorio.uan.edu.co/bitstreams/76bec7d8-e3f3-4027-aed5-3ccd3fb16d41/downloadb9d996cc5c9403a3eb91e0f75522296cMD542023_AllisonNatallyZapataTovar_Autorización32023_AllisonNatallyZapataTovar_Autorización3Formato Biblioteca3application/pdf269463https://repositorio.uan.edu.co/bitstreams/f7cb2c07-ae4d-4d11-9034-064e6ca00f10/download240f72c6e3910efac56a356ccc18e664MD55123456789/8774oai:repositorio.uan.edu.co:123456789/87742024-10-09 23:26:26.021https://creativecommons.org/licenses/by-nc-nd/4.0/Acceso abiertoopen.accesshttps://repositorio.uan.edu.coRepositorio Institucional UANalertas.repositorio@uan.edu.co

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