Comparative Analysis of Fold Angles and Aromaticity in Synthetic Models and the Crystal Structure of Nitrate Reductase Enzyme

Susheela K Lenkennavar

doi:10.61343/jcm.v1i02.31

Authors

Susheela K Lenkennavar Bangalore University

DOI:

https://doi.org/10.61343/jcm.v1i02.31

Keywords:

NIR enzyme, Biomimetic compounds, dithiolene unit, DFT

Abstract

Many research groups aim to synthesize biomimetic compounds to mimic enzymatic functions. To achieve a complete mimicry, a comprehensive understanding of the structural details at the microscopic level is necessary. In this study, we conducted a structural analysis of synthetic molybdenum-dithiolene complexes and the active site structure of the NIR enzyme. Our analysis focused on the folding of the dithiolene ring and the aromaticity of the five-membered ring.

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