Quantum chemical investigations of some molecules of biological importance

Abstract

Theoretical quantum chemical methods are very useful tools for the detailed investigation of various materials. These methods have been extensively used for the exploration of structural, spectroscopic, and electronic properties of the materials. newlineStudies of molecular systems, showing biological and pharmaceutical activities like antibacterial, antileukemic, cytotoxic, antimicrobial, antihypertensive, insecticidal activity etc., have attracted the interest of researchers. Synthetic pyrethroids are an important group of pesticides that show potent insecticidal activity but low mammalian toxicity. Therefore, they have found widespread use in agricultural and public health applications. Chalcones form a group of organic compounds that are widely found in the plant kingdom. Naturally occurring or synthetic chalcones can be modified to obtain compounds such as flavonoids, pyrazoles, oxazoles and pyrimidines. newline newline newline