T. Hadadi, H. Tavakol, H. Roohi, Z.Razmara, Quantum mechanical study of interaction between 1-methyl-2-thioxoimidazolidin-4-one and I2 in the gas phase, 14^th Iranian Physical Chemistry Conference, Kish Iceland, Kish, February 2011

Abstract

Interaction of organic molecules with iodine has been widely observed in biological systems [1] especially in human's thyroid [2]. In this category, imidazoline [3], and related compounds like thioimidazoline derivatives [4] are known as iodine absorbent in human's body [5]. Methimazole, as a most important member of this group, make powerful complex with iodine. This complex can prevent the first step of biosynthesis of thyroid's hormones to prevent hyperthyroidism. As a result, each compound with powerful complex with iodine can be used as a new drug in this category. By study of structures of previous hyperthyroidism drugs, 1- methyl-2-thioxoimidazolidin-4-one(T1) was suggested to study of its structure and complexation properties to iodine in this research.