Browsing Artículos by Author "Munteanu, Cristian R."
Now showing items 1-7 of 7
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Gene Prioritization, Communality Analysis, Networking and Metabolic Integrated Pathway to Better Understand Breast Cancer Pathogenesis
López Cortés, Andrés; Paz y Miño, César; Cabrera Andrade, Alejandro; Barigye, Stephen J.; Munteanu, Cristian R.; González Díaz, Humberto; Pazos, Alejandro; Pérez Castillo, Yunierkis; Tejera, Eduardo (Nature Publishing Group, 2018-11-12)Consensus strategy was proved to be highly efficient in the recognition of gene-disease association. Therefore, the main objective of this study was to apply theoretical approaches to explore genes and communities directly ... -
MATEO: intermolecular α-amidoalkylation theoretical enantioselectivity optimization. Online tool for selection and design of chiral catalysts and products
Carracedo Reboredo, Paula; Aranzamendi Uruburu, Eider; He, Shan; Arrasate Gil, Sonia; Munteanu, Cristian R.; Fernández Lozano, Carlos; Sotomayor Anduiza, María Nuria; Lete Expósito, María Esther (BMC, 2024-01-23)The enantioselective Brønsted acid-catalyzed α-amidoalkylation reaction is a useful procedure is for the production of new drugs and natural products. In this context, Chiral Phosphoric Acid (CPA) catalysts are versatile ... -
Molecular docking, SAR analysis and biophysical approaches in the study of the antibacterial activity of ceramides isolated from Cissus incisa
Nocedo Mena, Deyani; Arrasate Gil, Sonia; Garza González, Elvira; Rivas Galindo, Verónica M.; Romo-Mancillas, Antonio; Munteanu, Cristian R.; Sotomayor Anduiza, María Nuria; Lete Expósito, María Esther; Barbolla Cuadrado, Iratxe; Martín Plágaro, César Augusto; Camacho Corona, María del Rayo (Elsevier, 2021-02-18)The developing of antibacterial resistance is becoming in crisis. In this sense, natural products play a fundamental role in the discovery of antibacterial agents with diverse mechanisms of action. Phytochemical investigation ... -
Net-Net Auto Machine Learning (AutoML) Prediction of Complex Ecosystems
Barreiro, Enrique; Munteanu, Cristian R.; Cruz-Monteagudo, Maykel; Pazos, Alejandro; González Díaz, Humberto (Nature Publishing, 2018-08-17)Biological Ecosystem Networks (BENs) are webs of biological species (nodes) establishing trophic relationships (links). Experimental confirmation of all possible links is difficult and generates a huge volume of information. ... -
Prediction of Anti-Glioblastoma Drug-Decorated Nanoparticle Delivery Systems Using Molecular Descriptors and Machine Learning
Munteanu, Cristian R.; Gutiérrez-Asorey, Pablo; Blanes-Rodríguez, Manuel; Hidalgo-Delgado, Ismael; Blanco Liverio, María de Jesús; Castiñeiras Galdo, Brais; Porto-Pazos, Ana B.; Gestal, Marcos; Arrasate Gil, Sonia; González Díaz, Humberto (MDPI, 2021-10-26)The theoretical prediction of drug-decorated nanoparticles (DDNPs) has become a very important task in medical applications. For the current paper, Perturbation Theory Machine Learning (PTML) models were built to predict ... -
Prediction of breast cancer proteins involved in immunotherapy, metastasis, and RNA-binding using molecular descriptors and artificial neural networks
López Cortés, Andrés; Cabrera Andrade, Alejandro; Vázquez Naya, José Manuel; Pazos, Alejandro; González Díaz, Humberto; Paz y Miño, César; Guerrero, Santiago; Pérez Castillo, Yunierkis; Tejera, Eduardo; Munteanu, Cristian R. (Springer Nature, 2020-05-22)[EN] Breast cancer (BC) is a heterogeneous disease where genomic alterations, protein expression deregulation, signaling pathway alterations, hormone disruption, ethnicity and environmental determinants are involved. Due ... -
Web Server and R Library for the Calculation of Markov Chains Molecular Descriptors
Carracedo Reboredo, Paula; Munteanu, Cristian R.; González Díaz, Humberto; Fernández Lozano, Carlos (MDPI, 2020-08-20)Markov Chain Molecular Descriptors (MCDs) have been largely used to solve Cheminformatics problems. The software to perform the calculation is not always available for general users. In this work, we developed the first ...