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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Universidad Antonio Nariño
2023
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| author | Zapata Tovar, Allison Nataly Trejos Perez, Valentina Martinez Correa, Daniela |
| author2 | Rivera Quiroga, Raul Eduardo |
| author_facet | Rivera Quiroga, Raul Eduardo Zapata Tovar, Allison Nataly Trejos Perez, Valentina Martinez Correa, Daniela |
| author_sort | Zapata Tovar, Allison Nataly |
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| 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 |
| format | Trabajo de grado (Pregrado y/o Especialización) |
| id | repositorio.uan.edu.co-123456789-8774 |
| institution | Repositorio Digital UAN |
| language | spa |
| publishDate | 2023 |
| publisher | Universidad Antonio Nariño |
| record_format | dspace |
| spelling | repositorio.uan.edu.co-123456789-87742024-10-09T23:26:26Z Evaluación In Silico De La Afinidad De 12 Moléculas Sobre Proteínas Involucradas En La Formación De Biopelicula De Streptococcus Mutans Zapata Tovar, Allison Nataly Trejos Perez, Valentina Martinez Correa, Daniela Rivera Quiroga, Raul Eduardo Caries dental bioinformática S. mutans Dental caries Bioinformatics S. 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, 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 De 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) Pregrado Presencial Investigación 2023-10-07T12:56:25Z 2023-10-07T12:56:25Z 2022-06-21 Trabajo de grado (Pregrado y/o Especialización) info:eu-repo/semantics/acceptedVersion http://purl.org/coar/resource_type/c_7a1f http://purl.org/coar/version/c_970fb48d4fbd8a85 http://repositorio.uan.edu.co/handle/123456789/8774 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 repourl:https://repositorio.uan.edu.co/ spa Acceso abierto Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) https://creativecommons.org/licenses/by-nc-nd/4.0/ info:eu-repo/semantics/openAccess http://purl.org/coar/access_right/c_abf2 application/pdf application/pdf application/pdf application/pdf application/pdf Aremenia, Quindio , Colombia Universidad Antonio Nariño Odontología Facultad de Odontología Armenia |
| spellingShingle | Caries dental bioinformática S. mutans Dental caries Bioinformatics S. mutans Zapata Tovar, Allison Nataly Trejos Perez, Valentina Martinez Correa, Daniela 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 |
| 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_short | Evaluación In Silico De La Afinidad De 12 Moléculas Sobre Proteínas Involucradas En La Formación De Biopelicula De Streptococcus Mutans |
| title_sort | evaluacion in silico de la afinidad de 12 moleculas sobre proteinas involucradas en la formacion de biopelicula de streptococcus mutans |
| topic | Caries dental bioinformática S. mutans Dental caries Bioinformatics S. mutans |
| url | http://repositorio.uan.edu.co/handle/123456789/8774 |
| work_keys_str_mv | AT zapatatovarallisonnataly evaluacioninsilicodelaafinidadde12moleculassobreproteinasinvolucradasenlaformaciondebiopeliculadestreptococcusmutans AT trejosperezvalentina evaluacioninsilicodelaafinidadde12moleculassobreproteinasinvolucradasenlaformaciondebiopeliculadestreptococcusmutans AT martinezcorreadaniela evaluacioninsilicodelaafinidadde12moleculassobreproteinasinvolucradasenlaformaciondebiopeliculadestreptococcusmutans |
