Ciencias Exactas y Ciencias de la Salud
Permanent URI for this collectionhttps://hdl.handle.net/11285/551039
Pertenecen a esta colección Tesis y Trabajos de grado de las Maestrías correspondientes a las Escuelas de Ingeniería y Ciencias así como a Medicina y Ciencias de la Salud.
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- Quantitative structure-property/activity relationship (QSPR/QSAR) model towards the prediction of novel fullerene derivatives as drug nanocarriers: the case of the CXCR7 protein and chemotherapy drugs used for breast cancer(Instituto Tecnológico y de Estudios Superiores de Monterrey, 2023-06-20) Robles Hernández, Jonathan Siu Loong; Miralrio Pineda, Alan Joel; emiggomez, emipsanchez; Del Castillo Vázques, Roxana Mitzayé; Escuela de ingeniería y ciencias; Campus Estado de México; Medina Medina, Dora IlianaThis project aimed to study the CXCR7 protein, related to the membrane and expressed in various forms of cancer. We will seek to calculate the binding score between breast cancer drugs and the most favorable active site in CXCR7, isolated and forming a complex with water-soluble derivatives of fullerene C60 as a nanocarrier, by molecular docking. Antitumoral drugs were tested to evaluate the behavior of the C60 to act as a drug nanocarrier. A collection of quantitative structure activity/property relationship (QSAR/QSPR) models were obtained to predict the protein-ligand binding score based on descriptors of the isolated molecules. To propose new nanomaterials that serve as drug carriers, this project proposes creating a QSPR model to predict the binding score between drugs and ligand-nanocarrier complexes. As a result of this study, it has been obtained that the binding score, when is used the fullerenes C60 or C60-COOH, has a higher magnitude in comparison with the binding score of the isolated drug. Another important conclusion is that the binding site for the isolated drugs with the CXCR7 protein is different in comparison to the drug with fullerene C60, in the first case the binding site is inside of the protein, and in the second case is outside of the protein. The case of drug-C60-COOH complex has three possible binding sites. With this project was possible to obtain mathematical models to predict the binding score between the protein and the isolated drug, the complex drug-C60, and drug-C60-COOH. In case of isolated drug, was possible to obtain a model with a MAPE (Mean Absolute Percentage Error) value of 6.17% by the use of artificial intelligence (AI). Besides, for drug-C60 complex was possible to obtain a mathematical model by multiple linear regression (MLR) with a MAPE of 4.97%. Finally, for drug-C60-COOH complex was possible to obtain a model with MAPE value of 6.7% by MLR.
- Evaluation of in vitro antioxidant and antibacterial activities and hydrolysates from Sphenarium purpurascens of early and adult stage(Instituto Tecnológico y de Estudios Superiores de Monterrey, 2021-11-01) Marín Morales, Martha Selene; IBARRA HERRERA, CELESTE CONCEPCION; 265151; Ibarra Herrera, Celeste Concepción; emijzarate/puemcuervo; Pérez Carrillo, Esther; Amador Espejo, Genaro Gustavo; Luna Vital, Diego Armando; School of Engineering and Sciences; Campus MonterreyEdible insects have become a promising food source since it has been shown that they are rich in protein, fatty acids, minerals, among others. Sphenarium purpursacens is considered an edible insect endemic from Mexican culture and its geographical distribution includes Tlaxcala, Puebla, Guanajuato, Queretaro, Hidalgo y México. Furthermore, grasshoppers contain several nutritional compounds in which the percentage of protein stands out. Obtaining innovative and alternative ingredients with biological activity from edible insect proteins has increased the demand for which it is necessary to advance research regarding entomophagy. The present study aimed was determined the antioxidant properties of the extract obtained from Sphenarium purpurascens early and adult age and evaluate the differences between them. It was carried out analyses compared proximal analyses of different stages of development of the insect and have been reported slightly different which are attributed to the age of the grasshoppers. Besides, the application of enzymatic hydrolysis using the Bacillus licheniformis 2.4L protease caused an increase in antioxidant capacity against DPPH• and ABTS•+. Once fractionated by ultrafiltration, the fractions that presented the highest antioxidant activity against DPPH• and ABTS•+ were ≤10 kDa. In conclusion, the enzymatic treatment with endoproteases proved to be an effective way to improve the concentration of compounds from the grasshopper, thus generating a viable source of possible nutraceuticals.