Química Medicinal: publicaciones de la  Dra. Mariela Bollini

• Ana G. Enderle, Isabel Franco-Castillo, Elena Atrián-Blasco, Rafael Martín-Rapún, Leonardo Lizarraga, María J. Culzoni, Mariela Bollini, Jesús M. de la Fuente, Filomena Silva, Carsten Streb, and Scott G. Mitchell.
  "Hybrid Antimicrobial Films Containing a Polyoxometalate-Ionic Liquid."
  ACS Applied Polymer Materials (2022). Ver publicación

• Frey Kathleen M., Bertoletti Nicole, Chan Albert H., Ippolito Joseph A., Bollini Mariela, Spasov Krasimir A., Jorgensen William L., Anderson Karen S.
  "Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase."
  Frontiers in Molecular Biosciences 9 (2022). Ver publicación

• Umansky, C., Morellato, A.E., Rieckher, M. et al.
  "Endogenous formaldehyde scavenges cellular glutathione resulting in redox disruption and cytotoxicity."
  Nature Communications 13, 745 (2022). Ver publicación

• Scardino, Valeria; Bollini, Mariela and Cavasotto, Claudio N.
  "Combination of pose and rank consensus in docking-based virtual screening: the best of both worlds".
  RSC Advances 11 (2021). Ver publicación

• Di Filippo, Juan I. and Bollini, Mariela and Cavasotto, Claudio N. A
  "Machine Learning Model to Predict Drug Transfer Across the Human Placenta Barrier."
  Frontiers in Chemistry (2021). Ver publicación

• Facundo N. Gallo, Ana G. Enderle, Lucas A. Pardo, Emilse S. Leal*, Mariela Bollini*
  "Challenges and perpectives  in the discovery of dengue virus entry inhibitors "
  Current of Medicinal Chemistry 29 (2021) 719-740. Ver publicación

• Leandro Battini, Daniel M. Fidalgo, Diego E. Alvarez, Mariela Bollini
  "Discovery of a Potent and Selective Chikungunya Virus Envelope Protein Inhibitor throug Computer-Aided Drug Design"
  ACS Infectious Diseases 7, 6 (2021) 1503-1518. Ver publicación

• Ana G. Enderle, Matteo Bosso, Rüdiger Groß, Magdalena Heiland, Mariela Bollini, María J. Culzoni, Jan Münch, Carsten Streb
  "Increased in‐vitro Anti‐HIV Activity of Caffeinium‐functionalized Polyoxometalates"
  European Federation for Medicinal Chemistry and Chemical Biology 16, 17 (2021) 2727-2730. Ver publicación

• Gabriela A. Fernández, Eliana F. Castro, Rocío A. Rosas, Daniela M. Fidalgo, Natalia S. Adler, Leandro Battini, María J. España de Marco, Matías Fabiani, Ana M. Bruno, Mariela Bollini* and Lucía V. Cavallaro*
  "Design and Optimization of Quinazoline Derivatives: New Non-nucleoside Inhibitors of Bovine Viral Diarrhea Virus"
  Frontiers in Chemistry (2020). Ver publicación

• Emilse Leal, Natalia Adler, Gabriela Fernández, Leopoldo Gebhard, Leandro Battini, Maria Aucar, Mariela Videla, María Eugenia Monge, Alejandro Hernández de los Ríos, John Acosta Dávila, María Morell, Sandra Cordo, Cybele García, Andrea Gamarnik, Claudio Cavasotto, Mariela, Bollini
  "De novo design approaches targeting an envelope protein pocket to identify small molecules against dengue virus"
  European Journal of Medicinal Chemistry 182 (2019) article 111628. Ver publicación

• Leandro Battini, Mariela Bollini*
  "Challenges and approaches in the discovery of human immunodeficiency virus type‐1 non‐nucleoside reverse transcriptase inhibitors"
  Medicinal Research Reviews 39 (2018) 1235-1273. Ver publicación

• Eliana F. Castro, Juan J. Casal, María J. España de Marco, Leandro Battini, Matías Fabiani, Gabriela A. Fernández, Ana M. Bruno, Lucía V. Cavallaro*, Mariela Bollini*
  "Identification of potent bovine viral diarrhea virus inhibitors by a structure-based virtual screening approach"
  Bioorganic Medicinal Chemistry Letters 29 (2) (2018) 262-266. Ver publicación

• Mariela Bollini, Ana María Bruno, María Eugenia Niño, Juan José Casal, Leandro Daniel Sasiambarrena, Damián Ariel González Valdez, Leandro Battini, Vanesa Rocío Puente, María Elisa Lombardo
  "Synthesis, 2D-QSAR Studies and Biological Evaluation of Quinazoline Derivatives as Potent Anti-Trypanosoma cruzi Agents"
  Medicinal Chemistry 15 (3) (2018) 265-276. Ver publicación

• Mariela Bollini, Emilse S. Leal , Natalia S. Adler, María G. Aucar , Gabriela A. Fernández , María J. Pascual, Fernando Merwaiss, Diego E. Alvarez and Claudio N. Cavasotto
  "Discovery of Novel Bovine Viral Diarrhea Inhibitors Using Structure-Based Virtual Screening on the Envelope Protein E2"
  Frontiers in Chemistry (2018). Ver publicación

• María José Pascual, Fernando Merwaiss, Emilse Leal, María Eugenia Quintana, Alejandra V. Capozzo, Claudio N. Cavasotto, Mariela Bollini, Diego E. Alvarez
  "Structure-based drug design for envelope protein E2 uncovers a new class of bovine viral diarrhea inhibitors that block virus entry"
  Antiviral Research 149 (2017) 179-190. Ver publicación

• Beatriz Lantaño, José M. Aguirre, Eleonora V. Drago, Mariela Bollini, Diego J. de la Faba, Jorge D. Mufato
  “Synthesis of benzylidenecycloalkan-1-ones and 1,5-diketones under Claisen-Schmidt reaction. influence of the temperature and electronic nature of arylaldehydes” 
  Synthetic Communications 47 (2017) 2202-2214. Ver publicación

• Emilse S. Leal, M. Gabriela Aucar, Leopoldo G. Gebhard, Nestor G. Iglesias, María J. Pascual, Juan J. Casal, Andrea V. Gamarnik, Claudio N. Cavasotto, Mariela Bollini
  "Discovery of novel Dengue virus entry inhibitors via a structure-based approach"
  Bioorganic & Medicinal Chemistry Letters 27 (2017) 3851-3588. Ver publicación

• Juan José Casal, Mariela Bollini, María Elisa Lombardo, Ana María Bruno.
  "Thalidomide analogues: Tumor necrosis factor-alphainhibitors and their evaluation as anti-inflammatory agents."
  European Journal of Pharmaceutical Sciences 83 (2016) 114-119. Ver publicación

• William T Gray, Kathleen M. Frey, Sarah B. Laskey, Andrea C. Mislak, Krasimir A. Spasov, Won-Gil Lee, Mariela Bollini, Robert F Siliciano, William L Jorgensen, and Karen S. Anderson.
  "Potent Inhibitors Active against HIV Reverse Transcriptase with K101P, a Mutation Conferring Rilpivirine Resistance."
  ACS Medicinal Chemistry Letters 6 (10) (2015) 1075-1079. Ver publicación

• Frey, Kathleen; Puleo, David; Spasov, Krasimir; Bollini, Mariela; Jorgensen, William; Anderson, Karen "Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants"
  Journal of Medicinal Chemistry 58 (2015) 2737–2745. Ver publicación

• Mariela Bollini; Juan J. Casal; Silvia E. Asís; Emilse S. Leal; Ana M. Bruno
  "Antimalarial activity of novel imidazoisoquinolinone derivatives correlates with heme binding affinity"
  ACS Medicinal Chemistry Research 24 (2015) 1496-1503. Ver publicación

• Won-Gil Lee; Kathleen M. Frey; Ricardo Gallardo-Macias; Krasimir A. Spasov; Mariela Bollini, Karen S. Anderson; and William L. Jorgensen
  "Picomolar Inhibitors of HIV-1 Reverse Transcriptase: Design and Crystallography of Naphthyl Phenyl Ethers"
  ACS Medicinal Chemistry Letters 5 (2014) 1259-1262. Ver publicación

• Andrea C. Mislak; Kathleen M. Frey; Mariela Bollini; William Jorgensen; Karen S. Anderson
  "A mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptase"
  Biochimica et Biophysica Acta (BBA) 1840 (2014) 2203-2211. Ver publicación

• Kathleen M. Frey; William T. Gray; Krasimir A. Spasov; Mariela Bollini; Ricardo Gallardo-Macias; William L. Jorgensen; Karen S. Anderson
  "Structure-Based Evaluation of C5 Derivatives in the Catechol Diether Series Targeting HIV-1 Reverse Transcriptase"
  Chemical Biology and Drug Design 83 (2014) 541-549. Ver publicación

• Lee, Won-Gil; Gallardo Macias, Ricardo; Frey Kathleen; SpasovKrasimir; Bollini, Mariela; Anderson, Karen; Jorgensen, William
  "Picomolar Inhibitors of HIV Reverse Transcriptase Featuring Bicyclic Replacement of a Cyanovinylphenyl Group"
  Journal of the American Chemical Society 135 (2013) 16705-16713. Ver publicación

• Mariela Bollini; Kathleen M. Frey; José A. Cisneros; Krasimir A. Spasov; Kalyan Das; Joseph D. Bauman; Eddy Arnold; Karen S. Anderson; William L. Jorgensen
  "Extension into the entrance channel of HIV-1 reverse transcriptase – crystallography and enhanced solubility"
  Bioorganic & Medicinal Chemistry Letters 23 (2013) 5209-5212. Ver publicación

• Mariela Bollini; José A. Cisneros; Krasimir A. Spasov; Karen S. Anderson; William L. Jorgensen
  "Optimization of diarylazines as anti-HIV agents with dramatically enhanced solubility"
  Bioorganic & Medicinal Chemistry Letters 23 (2013) 5213-5216. Ver publicación

• Fernanda M. Frank; Alejandra B. Ciccarelli; Mariela Bollini; Ana M. Bruno; Alcira Batlle; Maria E. Lombardo
  "Trypanocidal Activity of Thioamide-Substituted Imidazoquinolinone: Electrochemical Properties and Biological Effects"
  Evidence-Based Complementary and Alternative Medicine 2013 (2013) Article ID 945953, 10 pages. Ver publicación

• Mariela Bollini; Ricardo Gallardo-Macias; Krasimir A. Spasov; Julian Tirado-Rives; Karen S. Anderson; William L. Jorgensen.
  "Optimization of benzyloxazoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase to enhance Y181C potency"
  Bioorganic & Medicinal Chemistry Letters 23 (2013) 1110-1113. Ver publicación

• Kathleen M. Frey; Mariela Bollini; Andrea C. Mislak; José A. Cisneros; Ricardo Gallardo-Macias; William L. Jorgensen; Karen S. Anderson.
  "Crystal Structures of HIV-1 Reverse Transcriptase with Picomolar Inhibitors Reveal Key Interactions for Drug Design"
  Journal of the American Chemical Society 134 (2012) 19501-19503. Ver publicación

• Anil R. Ekkati; Mariela Bollini; Robert A. Domaoal; Krasimir A. Spasov; Karen S. Anderson; William L. Jorgensen.
  "Discovery of dimeric inhibitors by extension into the entrance channel of HIV-1 reverse transcriptase"
  Bioorganic & Medicinal Chemistry Letters 22 (2012) 1565-1568. Ver publicación

• William L. Jorgensen; Mariela Bollini; Vinay V. Thakur; Robert A. Domaoal; Krasimir A. Spasov; Karen S. Anderson.
  "Efficient Discovery of Potent Anti-HIV Agents Targeting the Tyr181Cys Variant of HIV Reverse Transcriptase"
  Journal of the American Chemical Society 133 (2011) 15686-15696. Ver publicación

• Mariela Bollini; Robert A. Domaoal; Vinay V. Thakur; Ricardo Gallardo-Macias; Krasimir A. Spasov; Karen S. Anderson; William L. Jorgensen.
  "Computationally-Guided Optimization of a Docking Hit to Yield Catechol Diethers as Potent Anti-HIV Agents"
  Journal of Medicinal Chemistry 54 (2011) 8582-8591. Ver publicación

• Cheryl S. Leung; Jacob G. Zeevaart; Robert A. Domaoal; Mariela Bollini; Vinay V. Thakur; Krasimir A. Spasov; Karen S. Anderson; William L. Jorgensen.
  "Eastern extension of azoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase; cyano group alternatives"
  Bioorganic & Medicinal Chemistry Letters 20 (2010) 2485-2488. Ver publicación