Active site of Fe-containing Lactoperoxidase
Bioinorganic and Biomimetic Chemistry
The main focus of our research is to understand the chemistry and biology of naturally occuring and
chemically modified metalloproteins (including selenoproteins) and to develop new approaches for modeling/mimicking
the enzymatic properties with purposefully-designed small molecules. Our group is also interested in the
design and synthesis of novel sulfur and selenium-containing compounds as inhibitors of thyroid peroxidase
and lactoperoxidase. We employ spectroscopic, crystallographic and biophysical methods in combination with chemical
synthesis to accomplish these objectives.
Manna, D.; Mugesh, G. "Regioselective Deiodination of Thyroxine by Iodothyronine Deiodinase Mimics: An Unusual Mechanistic Pathway Involving Cooperative Chalcogen and Halogen Bonding",
J. Am. Chem. Soc. 134, 4269 - 4279 (2012).
Manna, D.; Mugesh, G. "Deiodination of Thyroid Hormones by Iodothyronine Deiodinase Mimics: Does an Increase in the Reactivity Alter the Regioselectivity?",
J. Am. Chem. Soc. 133, 9980 - 9983 (2011).
Manna, D.; Mugesh, G. "A Chemical Model for the Inner-Ring Deiodination of Thyroxine
by Iodothyronine Deiodinase",
Angew. Chem. Int. Ed., 49, 9246 - 9249 (2010).
Sarma, B. K.; Manna, D.; Minoura, M.; Mugesh, G. "Synthesis, Structure, Spirocyclization Mechanism and Glutathione Peroxidase-like Antioxidant Activity of Stable Spirodiazaselenurane and
J. Am. Chem. Soc., 132, 5364 - 5374 (2010).
Sarma, B. K.; Mugesh, G. "Redox Regulation of Protein Tyrosine Phosphatase
1B (PTP1B): A Biomimetic Study on the Unexpected Formation of a Sulfenyl
J. Am. Chem. Soc. 129, 8872 - 8881 (2007).
Roy, G.; Mugesh, G. "Anti-Thyroid Drugs and Thyroid Hormone Synthesis:
Effect of Methimazole Derivatives on Peroxidase-Catalyzed Reactions",
J. Am. Chem. Soc. 127, 15207 - 15217 (2005).
Indian Institute of Science
Bangalore 560 012, INDIA
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The selenium analogue of methimazole, an anti-thyroid drug