Search Results - "Pérez Castillo, Yunierkis"

Unraveling druggable cancer-driving proteins and targeted drugs using artificial intelligence and multi-omics analyses by López-Cortés, Andrés, Cabrera-Andrade, Alejandro, Echeverría-Garcés, Gabriela, Echeverría-Espinoza, Paulina, Pineda-Albán, Micaela, Elsitdie, Nicole, Bueno-Miño, José, Cruz-Segundo, Carlos M., Dorado, Julian, Pazos, Alejandro, Gonzáles-Díaz, Humberto, Pérez-Castillo, Yunierkis, Tejera, Eduardo, Munteanu, Cristian R.

“…The druggable proteome refers to proteins that can bind to small molecules with appropriate chemical affinity, inducing a favorable clinical response…”
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Consensus strategy in genes prioritization and combined bioinformatics analysis for preeclampsia pathogenesis by Tejera, Eduardo, Cruz-Monteagudo, Maykel, Burgos, Germán, Sánchez, María-Eugenia, Sánchez-Rodríguez, Aminael, Pérez-Castillo, Yunierkis, Borges, Fernanda, Cordeiro, Maria Natália Dias Soeiro, Paz-Y-Miño, César, Rebelo, Irene

“…Preeclampsia is a multifactorial disease with unknown pathogenesis. Even when recent studies explored this disease using several bioinformatics tools, the main…”
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Probing the Hypothesis of SAR Continuity Restoration by the Removal of Activity Cliffs Generators in QSAR by Cruz-Monteagudo, Maykel, Medina-Franco, José L, Perera-Sardiña, Yunier, Borges, Fernanda, Tejera, Eduardo, Paz-Y-Miño, Cesar, Pérez-Castillo, Yunierkis, Sánchez-Rodríguez, Aminael, Contreras-Posada, Zuleidys, Cordeiro, M Natália D S

“…In this work we report the first attempt to study the effect of activity cliffs over the generalization ability of machine learning (ML) based QSAR…”
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Structure-Function Relationships in the Human P-Glycoprotein (ABCB1): Insights from Molecular Dynamics Simulations by Mora Lagares, Liadys, Pérez-Castillo, Yunierkis, Minovski, Nikola, Novič, Marjana

“…P-Glycoprotein (P-gp) is a transmembrane protein belonging to the ATP binding cassette superfamily of transporters, and it is a xenobiotic efflux pump that…”
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Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde? by Cruz-Monteagudo, Maykel, Medina-Franco, José L., Pérez-Castillo, Yunierkis, Nicolotti, Orazio, Cordeiro, M. Natália D.S., Borges, Fernanda

“…•We provide a critical review of the current state of the activity cliff research.•We comment on and integrate the opinions of experts working on activity…”
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Synthesis and Study of a Series of 3-Arylcoumarins as Potent and Selective Monoamine Oxidase B Inhibitors by Matos, Maria J, Terán, Carmen, Pérez-Castillo, Yunierkis, Uriarte, Eugenio, Santana, Lourdes, Viña, Dolores

“…New series of 6-substituted-3-arylcoumarins displaying several alkyl, hydroxyl, halogen, and alkoxy groups in the two benzene rings have been designed,…”
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SARS‐CoV‐2, an evolutionary perspective of interaction with human ACE2 reveals undiscovered amino acids necessary for complex stability by Armijos‐Jaramillo, Vinicio, Yeager, Justin, Muslin, Claire, Perez‐Castillo, Yunierkis

“…The emergence of SARS‐CoV‐2 has resulted in nearly 1,280,000 infections and 73,000 deaths globally so far. This novel virus acquired the ability to infect…”
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Alkyl and Aryl Derivatives Based on p -Coumaric Acid Modification and Inhibitory Action against Leishmania braziliensis and Plasmodium falciparum by Lopes, Susiany P, Yepes, Lina M, Pérez-Castillo, Yunierkis, Robledo, Sara M, de Sousa, Damião P

“…In low-income populations, neglected diseases are the principal cause of mortality. Of these, leishmaniasis and malaria, being parasitic, protozoan infections,…”
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Validation of venous thromboembolism predictive model in hematologic malignancies by López Sacerio, Agnerys, Tejeda Ramón, Mara Caridad, Morales Helguera, Aliuska, Pérez Castillo, Yunierkis, Cruz Rodríguez, Javier, Guerra Rodríguez, Jorge Felix, Falanga, Anna

“…Although several scores stratify venous thromboembolism (VTE) risk in solid tumors, hematologic malignancies (HM) are underrepresented. To develop an internal…”
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Larvicidal Activity of Cinnamic Acid Derivatives: Investigating Alternative Products for Aedes aegypti L. Control by Araújo, Marianna O, Pérez-Castillo, Yunierkis, Oliveira, Louise H G, Nunes, Fabíola C, Sousa, Damião P de

“…The mosquito transmits the virus that causes dengue, yellow fever, Zika and Chikungunya viruses, and in several regions of the planet represents a vector of…”
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A Multi-Objective Approach for Drug Repurposing in Preeclampsia by Tejera, Eduardo, Pérez-Castillo, Yunierkis, Chamorro, Andrea, Cabrera-Andrade, Alejandro, Sanchez, Maria Eugenia

“…Preeclampsia is a hypertensive disorder that occurs during pregnancy. It is a complex disease with unknown pathogenesis and the leading cause of fetal and…”
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A population-based study of preeclampsia and eclampsia in Ecuador: ethnic, geographical and altitudes differences by Tejera, Eduardo, Sánchez, Maria Eugenia, Henríquez-Trujillo, Aquiles R, Pérez-Castillo, Yunierkis, Coral-Almeida, Marco

“…In Ecuador eclampsia and preeclampsia were identified as the third cause of maternal death. Like other Latin-American countries, Ecuador has human settlements…”
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Gene Prioritization through Consensus Strategy, Enrichment Methodologies Analysis, and Networking for Osteosarcoma Pathogenesis by Cabrera-Andrade, Alejandro, López-Cortés, Andrés, Jaramillo-Koupermann, Gabriela, Paz-Y-Miño, César, Pérez-Castillo, Yunierkis, Munteanu, Cristian R, González-Díaz, Humbert, Pazos, Alejandro, Tejera, Eduardo

“…Osteosarcoma is the most common subtype of primary bone cancer, affecting mostly adolescents. In recent years, several studies have focused on elucidating the…”
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Generative Adversarial Networks (GANs) Based Synthetic Sampling for Predictive Modeling by Barigye, Stephen J., García de la Vega, José M., Perez‐Castillo, Yunierkis

“…In the present report we evaluate the possible utility of the Generative Adversarial Networks (GANs) in mapping the chemical structural space for molecular…”
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A Multi-Objective Approach for Anti-Osteosarcoma Cancer Agents Discovery through Drug Repurposing by Cabrera-Andrade, Alejandro, López-Cortés, Andrés, Jaramillo-Koupermann, Gabriela, González-Díaz, Humberto, Pazos, Alejandro, Munteanu, Cristian R., Pérez-Castillo, Yunierkis, Tejera, Eduardo

“…Osteosarcoma is the most common type of primary malignant bone tumor. Although nowadays 5-year survival rates can reach up to 60–70%, acute complications and…”
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Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3D and topological indices by González-Díaz, Humberto, Pérez-castillo, Yunierkis, Podda, Gianni, Uriarte, Eugenio

“…In principle, there are different protein structural parameters that can be used in computational chemistry studies to classify protein mutants according to…”
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Perturbation-Theory Machine Learning (PTML) Multilabel Model of the ChEMBL Dataset of Preclinical Assays for Antisarcoma Compounds by Cabrera-Andrade, Alejandro, López-Cortés, Andrés, Munteanu, Cristian R, Pazos, Alejandro, Pérez-Castillo, Yunierkis, Tejera, Eduardo, Arrasate, Sonia, González-Díaz, Humbert

“…Sarcomas are a group of malignant neoplasms of connective tissue with a different etiology than carcinomas. The efforts to discover new drugs with antisarcoma…”
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GA(M)E-QSAR: A Novel, Fully Automatic Genetic-Algorithm-(Meta)-Ensembles Approach for Binary Classification in Ligand-Based Drug Design by Pérez-Castillo, Yunierkis, Lazar, Cosmin, Taminau, Jonatan, Froeyen, Mathy, Cabrera-Pérez, Miguel Ángel, Nowé, Ann

“…Computer-aided drug design has become an important component of the drug discovery process. Despite the advances in this field, there is not a unique modeling…”
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A putative antimicrobial peptide from Hymenoptera in the megaplasmid pSCL4 of Streptomyces clavuligerus ATCC 27064 reveals a singular case of horizontal gene transfer with potential applications by Ayala‐Ruano, Sebastián, Santander‐Gordón, Daniela, Tejera, Eduardo, Perez‐Castillo, Yunierkis, Armijos-Jaramillo, Vinicio

“…Streptomyces clavuligerus is a Gram‐positive bacterium that is a high producer of secondary metabolites with industrial applications. The production of…”
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Exploring the dynamics of the ABCB1 membrane transporter P-glycoprotein in the presence of ATP and active/non-active compounds through molecular dynamics simulations by Mora Lagares, Liadys, Pérez-Castillo, Yunierkis, Novič, Marjana

“…P-glycoprotein (Pgp) is a member of the ATP-binding cassette family of transporters that confers multidrug resistance to cancer cells and is actively involved…”
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