Mariela Bollini
Yale University
22 Papers
88 Citations
Mariela Bollini is an academic researcher from Yale University. The author has contributed to research in topics: Chemistry & Medicine. The author has an hindex of 12, co-authored 13 publications.
Chat about Author
Papers
Computationally-guided optimization of a docking hit to yield catechol diethers as potent anti-HIV agents.
Mariela Bollini,Robert A. Domaoal,Vinay V. Thakur,Ricardo Gallardo-Macias,Krasimir A. Spasov,Karen S. Anderson,William L. Jorgensen +6 more
TL;DR: A 5-μM docking hit has been optimized to an extraordinarily potent (55 pM) non-nucleoside inhibitor of HIV reverse transcriptase by identifying optimal substitution patterns for phenyl rings and a linker.
126
Picomolar Inhibitors of HIV Reverse Transcriptase Featuring Bicyclic Replacement of a Cyanovinylphenyl Group.
Won-Gil Lee,Ricardo Gallardo-Macias,Kathleen M. Frey,Krasimir A. Spasov,Mariela Bollini,Karen S. Anderson,William L. Jorgensen +6 more
TL;DR: Computer simulations were used to design bicyclic replacements for the CVP group and the predicted viability of a 2-cyanoindolizinyl alternative was confirmed experimentally and provided compounds with 0.4 nM activity against the wild-type HIV-1.
Endogenous formaldehyde scavenges cellular glutathione resulting in redox disruption and cytotoxicity
Carla Umansky,Agustín E. Morellato,Matthias Rieckher,Marco Scheidegger,Manuela Romina Martinefski,Gabriela Araceli Fernandez,Oleg Pak,Ksenia Kolesnikova,Hernán Reingruber,Mariela Bollini,Gerry P. Crossan,Natascha Sommer,María Eugenia Monge,Björn Schumacher,Lucas B. Pontel +14 more
TL;DR: This article showed that FA triggers cellular redox imbalance in human cells and in Caenorhabditis elegans, and that FA reacts with the redox-active thiol group of glutathione (GSH), altering GSH:GSSG ratio and causing oxidative stress.
Crystal structures of HIV-1 reverse transcriptase with picomolar inhibitors reveal key interactions for drug design.
Kathleen M. Frey,Mariela Bollini,Andrea C. Mislak,José A. Cisneros,Ricardo Gallardo-Macias,William L. Jorgensen,Karen S. Anderson +6 more
TL;DR: X-ray crystal structures at 2.9 Å resolution are reported for two complexes of catechol diethers with HIV-1 reverse transcriptase that help elucidate the structural origins of the extreme antiviral activity of the compounds.
51
Picomolar Inhibitors of HIV-1 Reverse Transcriptase: Design and Crystallography of Naphthyl Phenyl Ethers
Won-Gil Lee,Kathleen M. Frey,Ricardo Gallardo-Macias,Krasimir A. Spasov,Mariela Bollini,Karen S. Anderson,William L. Jorgensen +6 more
TL;DR: Catechol diethers that incorporate a 6-cyano-1-naphthyl substituent have been explored as non-nucleoside inhibitors of HIV-1 reverse transcriptase (NNRTIs) and promising compounds are reported that show midpicomolar activity against the wild-type virus and sub-20 nM activity against viral variants bearing Tyr181Cys and Lys103Asn mutations in HIV-RT.
36