• Article

      Analysis of the Zonula occludens Toxin Found in the Genome of the Chilean Non-toxigenic Vibrio parahaemolyticus Strain PMC53.7 (2020) 

      Pérez-Reytor, Diliana Celeste; Pavón, Alequis; López-Joven, Carmen; Ramírez-Araya, Sebastián; Peña-Varas, Carlos; Plaza, Nicolás; Alegría-Arcos, Melissa; Corsini, Gino; Jaña, Víctor; Pavez, Leonardo; ... (Frontiers Media S.A., 2020-09-24)
      Vibrio parahaemolyticus non-toxigenic strains are responsible for about 10% of acute gastroenteritis associated with this species, suggesting they harbor unique virulence factors. Zonula occludens toxin (Zot), firstly ...
    • Article

      Application of ensemble pharmacophore-based virtual screening to the discovery of novel antimitotic tubulin inhibitors (2021) 

      Gallego-Yerga, Laura; Ochoa, Rodrigo; Lans, Isaias; Peña-Varas, Carlos; Alegría-Arcos, Melissa; Cossio, Pilar; Ramírez, David; Peláez-Lamamié De Clairac, Rafael (Elsevier B.V., 2021-01)
      Tubulin is a well-validated target for herbicides, fungicides, anti-parasitic, and anti-tumor drugs. Many of the non-cancer tubulin drugs bind to its colchicine site but no colchicine-site anticancer drug is available. The ...
    • Article

      Calcium-Alginate-Chitosan Nanoparticle as a Potential Solution for Pesticide Removal, a Computational Approach (2024) 

      Yáñez, Osvaldo; Alegría-Arcos, Melissa; Suardiaz, Reynier; Morales-Quintana, Luis; Castro, Ricardo I.; Palma-Olate, Jonathan; Galarza, Christian; Catagua-González, Ángel; Rojas-Pérez, Víctor; Urra, Gabriela; ... (Multidisciplinary Digital Publishing Institute (MDPI), 2023)
      Pesticides have a significant negative impact on the environment, non-target organisms, and human health. To address these issues, sustainable pest management practices and government regulations are necessary. However, ...
    • Article

      Network pharmacology reveals multitarget mechanism of action of drugs to be repurposed for COVID-19 (2024) 

      Alegría-Arcos, Melissa; Barbosa, Tábata; Sepúlveda, Felipe; Combariza, German; González, Janneth; Gil, Carmen; Martínez, Ana; Ramírez, David (Frontiers Media S.A., 2022)
      The coronavirus disease 2019 pandemic accelerated drug/vaccine development processes, integrating scientists all over the globe to create therapeutic alternatives against this virus. In this work, we have collected information ...
    • Article

      PSC-db: A Structured and Searchable 3D-Database for Plant Secondary Compounds (2021) 

      Valdés-Jiménez, Alejandro; Peña-Varas, Carlos; Borrego-Muñoz, Paola; Arrué, Lily; Alegría-Arcos, Melissa; Nour-Eldin, Hussam Hassan; Dreyer, Ingo; Núñez-Vivanco, Gabriel; Ramírez, David (NLM (Medline), 2021-02-20)
      Plants synthesize a large number of natural products, many of which are bioactive and have practical values as well as commercial potential. To explore this vast structural diversity, we present PSC-db, a unique plant ...
    • Article

      PSC-db: A Structured and Searchable 3D-Database for Plant Secondary Compounds (2021) 

      Valdés-Jiménez, Alejandro; Peña-Varas, Carlos; Borrego-Muñoz, Paola; Arrué, Lily; Alegría-Arcos, Melissa; Nour-Eldin, Hussam Hassan; Dreyer, Ingo; Núñez-Vivanco, Gabriel; Ramírez, David (NLM (Medline), 2021-02-20)
      Plants synthesize a large number of natural products, many of which are bioactive and have practical values as well as commercial potential. To explore this vast structural diversity, we present PSC-db, a unique plant ...
    • Article

      Unveiling Novel Urease Inhibitors for Helicobacter pylori: A Multi-Methodological Approach from Virtual Screening and ADME to Molecular Dynamics Simulations (2024) 

      Valenzuela-Hormazabal, Paulina; Sepúlveda, Romina V.; Alegría-Arcos, Melissa; Valdés-Muñoz, Elizabeth; Rojas-Pérez, Víctor; González-Bonet, Ileana; Suardíaz, Reynier; Galarza, Christian; Morales, Natalia; Leddermann, Verónica; ... (Multidisciplinary Digital Publishing Institute (MDPI), 2024)
      Helicobacter pylori (Hp) infections pose a global health challenge demanding innovative therapeutic strategies by which to eradicate them. Urease, a key Hp virulence factor hydrolyzes urea, facilitating bacterial survival ...