Quantum mecha nical study of intera ction bet ween ۳-m ethyl-۲-thioxoimid azolidin-۴-one and I۲ in the gas phase

Interaction of organic molecu les with iod ine has been widely ob served in biological systems [۱] es pecially in human's thyroid [۲]. In t his category, imidazoline [۳], and re lated comp ounds like t hioimidazol ne derivati ves [۴] are known as iodine abso rbent in h uman's bod y [۵]. Methimazole, as a most important membe r of this gro up, make p owerful com plex with i odine. This complex ca n prevent t he first step of biosynt hesis of thyroid's hor mones to prevent hypert hyroidism. As a result, each compo und with p owerful com plex with io dine can be used as a new drug in this category. By study of structur es of previous hyperthyroidism drugs, ۱-methyl-۲-thioxoim idazolidin-۴-one(T۱) was suggested to study of its structure and complexation pro perties to io dine in this research.

کلیدواژه ها:

Tautomer ، Complex ، Interaction ، Hyperthyroidism