Sulfur in Biology

We carry out computations aimed at understanding the importance of sulfur-containing molecules in biology.

Knapp, J. M.; Wood, A. B.; Phuan, P.-W.; Lodewyk, M. W.; Tantillo, D. J.; Verkman, A. S.; Kurth, M. J. J. Med. Chem. 2012, 55, 1242-1251: "Structure-Activity Relationships of Cyanoquinolines with Corrector-Potentiator Activity in (delta)F508-Cystic Fibrosis Transmembrane Conductance Regulator Protein"

Ye, L.; Hu, B.; El-Badri, F.; Hudson, B.M.; Phuan, P.-W.; Verkman, A. S.; Tantillo, D. J.; Kurth, M. J. Bioorg. Med. Chem. Lett. 2014, 24, 5840-5844: "(delta)F508-CFTR Correctors: Synthesis and Evaluation of Thiazole-Tethered Oxazoles, Oxadiazoles, and Thiadiazoles"

Ono, K.; Akaike, T.; Sawa, T.; Kumagai, Y.; Wink, D. A.; Tantillo, D. J.; Hobbs, A. J.; Nagy, P.; Xian, M.; Lin, J.; Fukuto, J. M. Free Radical Biol. Med. 2014, 77, 82-94: "The Redox Chemistry and Chemical Biology of H2S, Hydropersulfides and Derived Species: Implications to Their Possible Biological Activity and Utility"

Saund, S. S.; Sosa, V.; Henriquez, S.; Nguyen, Q. N. N.; Soeda, S.; Bianco, C. L.; Millikin, R.; White, C.; Le, H.; Ono, K.; Tantillo, D. J.; Kumagai, Y.; Akaike, T.; Lin, J.; Fukuto, J. M. Arch. Biochem. Biophys. 2015, 588, 15-24: "The Chemical Biology of Hydropersulfides (RSSH): Chemical Stability, Reactivity and Redox Roles"

Hudson, B. M.; Nguyen, E.; Tantillo, D. J. Org. Biomol. Chem. 2016, 14, 3975-3980: "The Influence of Intramolecular Sulfur–Lone Pair Interactions on Small-Molecule Drug Design and Receptor Binding"

Zarenkiewicz, J.; Perez-Ternero, C.; Kojasoy, V.; McGinty, C.; Khodade, V. S.; Lin, J.; Tantillo, D. J.; Toscano, J. P.; Hobbs, A. J.; Fukuto, J. M. Free Radical Biol. Med. 2022, 188, 459-467: "The Reaction of Hydropersulfides (RSSH) with S-Nitrosothiols (RS-NO) and the Biological/Physiological Implications"

Kojasoy, V.; Tantillo, D. J. Org. Biomol. Chem. 2023, 21, 11-23: "Impacts of Noncovalent Interactions Involving Sulfur Atoms on Protein Stability, Structure, Folding, and Bioactivity"

Kojasoy, V.; Tantillo, D. J. J. Phys. Chem. A 2023, 127, 2081-2090: "Importance of Noncovalent Interactions Involving Sulfur Atoms in Thiopeptide Antibiotics – Glycothiohexide α and Nocathiacin I"


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