Therapeutic and nodulation properties of cross-talking (iso) flavonoids

Document Type

Book Chapter

Publication Title

Contemporary Medical Biotechnology Research for Human Health

Abstract

Cross-talking flavones and isoflavones invite Rhizobium, on one hand, for the formation of nodules and repel harmful microbes, on the other. These compounds, species specifically induce bacterial nod genes. Since these molecules initiate the molecular talk between eukaryotes and bacteria, we use a 6-311G (d, p) basis set of the Gaussian software to understand the molecular properties of some typical flavones (DHF, apigenin, and luteolin) and isoflavone (coumestrol). Results show that the electronic, thermodynamic, polarizability properties are largely dependent on the types of the core ring structure and hydroxyl substituents in them. Although the hydroxyl substitution pattern of coumestrol is similar to apigenin, the former possesses the lowest band-gap. Luteolin has the highest hydroxyl substitutions, which also shows a lower band-gap. Although DHF has lower hydroxyl substitutions, its electrophilicity exceeds luteolin and apigenin, whose reason could be the intramolecular hydrogen bonding in the latter cases. Taken together, the study highlights differential structural properties and finds application in intermolecular interactions.

First Page

91

Last Page

102

DOI

10.1016/B978-0-323-91251-8.00020-9

Publication Date

1-1-2022

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