MOLECULAR DOCKING STUDY OF ANTI THYROID DRUG AS AN ANTI-HYPERTENSIVE AGENT

Abstract

AIM: To determine and compare the binding efficiency of anti-thyroid drug (Carbimazole and Methimazole) with
standard anti-hypertensive drug(Clonidine) by using docking studies.
MATERIALS AND METHODS: Chem draw Ultra 12.0 software, Argus software, Autodock 4.2 Version,
Discovery studio 4.2 visualizer.
RESULTS: Molecular docking studies of Carbimazole and Methimazole were carried out and the docking scores
are in the range of -3.3 on α2B -3.45 on α2C and shows better binding energy compared to the standrard durg
clonidine.
CONCLUSION: The molecular docking studies of anti thyroid drugs namely Carbimazole and Methimazole have
shown an excellent binding efficiency results on α2-Adrenergic receptor as anti hypertensive agents. It is observed
that Methimazole showed significant binding energy-3.3 on α2B -3.45on α2C at lower concentrations when
compared with standard Clonidine -6.09 α2B -4.79 α2C.