Browsing by Subject "Docking"

Now showing items 1-7 of 7

    • Design, synthesis, binding and docking-based 3D-QSAR studies of 2-pyridylbenzimidazoles - A new family of ... 
      Mella Raipán, Jaime A.; Lagos, Carlos F.; Recabarren Gajardo, Gonzalo Iván; Espinosa Bustos, Christian; Romero Parra, Javier; Pessoa Mahana, Hernán; Iturriaga-Vásquez, Patricio; Pessoa Mahana, Carlos David (2013)
      A series of novel 2-pyridylbenzimidazole derivatives was rationally designed and synthesized based on our previous studies on benzimidazole 14, a CB1 agonist used as a template for optimization. In the present series, 21 ...
    • NMR and molecular fluorescence spectroscopic study of the structure and thermodynamic parameters of ... 
      Folch Cano, Christian; Guerrero, Juan; Speisky Cosoy, Hernán; Jullian Matthaei, Carolina; Olea Azar, Claudio (2014)
      The present study is focused on the characterization of the interaction between (-)-epigallocatechingallate (EGCG) and cyclodextrins like β-cyclodextrin (βCD), heptakis(2,6 di-O-methyl)-β-cyclodextrin (DMβCD), and ...
    • Novel N-arylsulfonylindoles targeted as ligands of the 5-HT6 receptor. Insights on the influence of C-5 ... 
      Arrieta Rodríguez, Loreto; Espinoza Rosales, Daniela; Vera, Gonzalo; Cho, Young Hwa; Cabezas, David; Vásquez Velásquez, David Reinaldo; Mella Raipán, Jaime; Lagos, Carlos F.; Recabarren Gajardo, Gonzalo (MDPI, 2021)
      A new series of twenty-two C-5 substituted N-arylsulfonylindoles was prepared with the aim of exploring the influence of C-5 substitution on 5-HT6 receptor affinity. Eleven compounds showed moderate to high affinity at the ...
    • Spectroscopic characterization of the inclusion complexes of luteolin with native and derivatized β-cyclodextrin 
      Jullian Matthaei, Carolina; Cifuentes, Constanza; Alfaro, Muriel; Miranda, Sebastián; Barriga, Germán; Olea Azar, Claudio (2010)
      The inclusion complexes of Luteolin (LU) with cyclodextrins (CDs) including β-cyclodextrin (βCD), hydroxypropyl-β-cyclodextrin (HPβCD) and dimethyl-β-cyclodextrin (DMβCD), Scheme 1, have been investigated using the method ...
    • Synthesis and Docking of Novel 3-Indolylpropyl Derivatives as New Polypharmacological Agents Displaying ... 
      Pessoa Mahana, Hernán; Silva Matus, Paul Eduardo; Pessoa Mahana, Carlos David; Chung, Hery; Iturriaga-Vásquez, Patricio; Quiroz, Gabriel; Möller-Acuña, Patricia; Zapata Torres, Gerald; Saitz Barría, Claudio; Araya Maturana, Ramiro; Reyes Parada, Miguel (Wiley, 2017)
      A series of novel 3-indolylpropyl derivatives was synthesized and evaluated for their binding affinities at the serotonin-1A receptor subtype (5-HT1AR) and the 5-HT transporter (SERT). Compounds 11b and 14b exhibited the ...
    • Synthesis, docking studies and biological evaluation of benzo[b]thiophen-2-yl-3-(4-arylpiperazin-1-yl)-propan-1-one ... 
      Pessoa Mahana, Hernán; Recabarren Gajardo, Gonzalo Iván; Temer, Jenny Fiedler; Zapata Torres, Gerald; Pessoa Mahana, Carlos David; Barría, Claudio Saitz; Araya Maturana, Ramiro (2012)
      A series of novel benzo[b]thiophen-2-yl-3-(4-arylpiperazin-1-yl)-propan-1- one derivatives 6a-f, 7a-f and their corresponding alcohols 8a-f were synthesized and evaluated for their affinity towards 5-HT 1A receptors. The ...
    • Synthesis, Docking, 3-D-Qsar, and Biological Assays of Novel Indole Derivatives Targeting Serotonin ... 
      Cerda Cavieres, Christopher David; Quiroz, Gabriel; Iturriaga-Vásquez, Patricio; Rodríguez Lavado, Julio; Alarcón Espósito, Jazmín; Saitz Barría, Claudio; Pessoa Mahana, Carlos D.; Chung, Hery; Araya Maturana, Ramiro; Mella Raipán, Jaime A.; Cabezas, David; Ojeda Gómez, Claudia; Reyes Parada, Miguel; Pessoa Mahana, Hernán (MDPI, 2020)
      A series of 27 compounds of general structure 2,3-dihydro-benzo[1,4]oxazin-4-yl)-2-{4-[3-(1H-3indolyl)-propyl]-1-piperazinyl}-ethanamides, Series I: 7(a-o) and (2-{4-[3-(1H-3-indolyl)-propyl]-1-piperazinyl}-acetylamine)- ...