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.
- Drug delivery dynamics of biopolymer-protein based nanostructures cues via experimental approach and mathematical modeling(Instituto Tecnológico y de Estudios Superiores de Monterrey, 2022-06-07) Ibarra Sánchez, Luis Ángel; IQBAL, HAFIZ MUHAMMAD NASIR; 735340; Nasir Iqbal, Hafiz Muhammad; emipsanchez; Parra Saldívar, Roberto; Melchor Martínez, Elda Madai; Gámez Méndez, Ana María; School of Engineering and Sciences; Campus Monterrey; Sosa Hernández, Juan EduardoRespiratory diseases are leading the burden in public health, usually found in the top chart of leading causes of death for many countries. Moreover, COVID-19 has aggravated this situation, having numerous patients with mild to severe symptoms. Besides, lung tissue inflammation and mucus overproduction are critical factors in patients’ comorbidity, not only for COVID-19 but also in other pulmonary diseases. In this project, the aim was to integrate the natural therapeutics curcumin (with a studied anti-inflammatory effect) and papain (a proteolytic enzyme used for mucus degradation) into a drug delivery nanostructure to administer intranasally. To reach this goal, curcumin was encapsulated in alginate particles with the emulsion-gelation method, obtaining an encapsulation efficiency of 81.23%. Also, curcumin particles showed a mean size of 500.8 nm, and a surface charge of -23.5 mV. Nonetheless, more studies are required to fully understand the emulsion system to obtain smaller and less disperse particles. Also, bioavailability and efficacy test are required to confirm feasibility of the project. In summary, nanoencapsulation in alginate via emulsion-gelation method has shown promising results for enhancing the curcumin solubility, bioavailability, and stability, to develop more efficient pulmonary treatments against inflammation.
- Biogenic silica as a novel carrier to encapsulate isorhamnetin using a microfluidic device(Instituto Tecnológico y de Estudios Superiores de Monterrey, 2018-05-14) Mancera-Andrade, Elena Ivonne; Parra-Saldivar, Roberto; Iqbal, Hafiz M. N.; González-Valdez, José GuillermoDiatoms have the peculiarity to synthesize amorphous silica around the cell wall. Frustules (empty silica shells) have the advantages of being biocompatible, biodegradable, nontoxic and rich with OH groups on the surface. Frustules have been used in diverse fields, but recently their application in the biomedical field has been investigated. Drug delivery systems (DDS) have been studied to improve the therapeutic effect of different drugs, especially hydrophobic drugs. Different encapsulation methodologies have been used to load the drug in a carrier such as drop-wise methodology or solvent evaporation. However, a reproducible methodology that reduces handling error must be explored. In the present work, a microfluidic device is used as a novel encapsulation technique for solid particles and hydrophobic drugs. A novel microfluidic device fabrication technique was used: ESCARGOT (Embedded SCAffold RemovinG Open Technology). Isorhamnetin was used as a model drug which has a hydrophobic nature. Three different concentrations were studied: 20, 60 and 100 μg/mL, and three different resident times in the device (0.4, 1 and 2 minutes). The highest encapsulation efficiency (EE%) and loading capacity (LC%) were 17.92% and 1.63% respectively. According to the statistical analysis, the optimum conditions to obtain a maximum (EE%) were 2 minutes and 20 μg/mL. The isorhamnetin release behavior was observed with a burst release in the first hour with 48.26%, while the total amount of drug was delivered in three hours. The feasibility of frustules as carriers and the microfluidic device as a mixer was successfully accessed. This methodology could be used as a standardization technique to obtain reproducible results. Further studies with frustule surface functionalization need to be performed to improve EE%.