• 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

      Antimicrobial properties of novel ionic liquids derived from imidazolium cation with phenolic functional groups (2021) 

      Guzmán-Jofre, Luis; Parra-Cid, Cristóbal; Guerrero-Muñoz, Etiennette; Peña-Varas, Carlos; Polo-Cuadrado, Efraín; Duarte, Yorley; Castro, Ricardo I.; Nerio, Luz Stella; Araya-Maturana, Ramiro; Assefa, Tewodros; ... (Academic Press Inc., 2021-10)
      Bacterial infections are nowadays among the major threats to public health worldwide. Thus, there is an urgent and increased need for new antimicrobial agents. As a result, the exploration of the antimicrobial properties ...
    • 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

      Iridoid esters from Valeriana pavonii Poepp. & Endl. as GABAA modulators: Structural insights in their binding mode and structure-activity relationship (2024) 

      Giraldo, Sara E.; Bedoya, Mauricio; Peña-Varas, Carlos; Santana, Paula A.; Bazzocchi, Isabel L.; Jiménez, Ignacio A.; Marder, Mariel; Vergel, Nadezdha E.; Guerrero, Mario F.; Ramírez, David (Academic Association of Pharmaceutical Sciences from Antofagasta (ASOCIFA), 2023)
      Context: Valeriana pavonii Poepp. & Endl. (Caprifoliaceae), is a plant used in traditional medicine as a tranquilizer in Colombia. Valerian extracts have been widely used since ancient times for their sedative and anxiolytic ...
    • Article

      New Drug Design Avenues Targeting Alzheimer’s Disease by Pharmacoinformatics-Aided Tools (2024) 

      Arrué, Lily; Cigna-Méndez, Alexandra; Barbosa, Tábata; Borrego-Muñoz, Paola; Struve-Villalobos, Silvia; Oviedo, Victoria; Martínez-García, Claudia; Sepúlveda-Lara, Alexis; Millán, Natalia; Márquez Montesinos, José C. E.; ... (MDPI, 2022)
      Neurodegenerative diseases (NDD) have been of great interest to scientists for a long time due to their multifactorial character. Among these pathologies, Alzheimer’s disease (AD) is of special relevance, and despite the ...
    • 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

      Structural Insights into the Substrate Transport Mechanisms in GTR Transporters through Ensemble Docking (2022) 

      Peña-Varas, Carlos; Kanstrup, Christa; Vergara-Jaque, Ariela; González-Avendaño, Mariela; Crocoll, Christoph; Mirza, Osman Asghar; Dreyer, Ingo; Nour-Eldin, Hussam Hassan; Ramírez, David (MDPI, 2022-02-01)
      Glucosinolate transporters (GTRs) are part of the nitrate/peptide transporter (NPF) family, members of which also transport specialized secondary metabolites as substrates. Glucosinolates are defense compounds derived from ...