Structure activity relationship of Atropine analogues with muscarinic acetyl choline M1 receptor: A molecular docking based approach

Venkatesh Kamath; Richard Lobo; Vasudev Pai; Aravinda Pai

Abstract

Structure activity relationship of Atropine analogues with muscarinic acetyl choline M1 receptor: A molecular docking based approach

Author(s): Venkatesh Kamath, Richard Lobo, Vasudev Pai and Aravinda Pai

Anticholinergics are used in the treatment of a variety of conditions. Some of the important conditions are: chronic obstructive pulmonary disease (COPD),asthma, motion sickness, dizziness, toxicity by organophosphorus insecticides or compounds like muscarine, conditions inducing high blood pressure and symptoms due to Parkinsonism. Atropine, falling under anticholinergic class of drug consists of l- as well as d- forms of hyoscyamine. The action of which is solely due to its levo form. Atropine counteracts the actions of acetylcholine and other esters of choline, thus is also termed as antimuscarinic agent. Due to the immense use of atropine, it was thought to design novel atropine congeners and to compare their binding affinities with the standard drug Tiotropium for binding at the active site of acetyl choline esterase. The results showed that none of the analogues processed dock scores comparable to Tiotropium. But the study gave us insight about the binding modes of anticholinergics. So, in future studies, more effective analogues will be designed and will be taken for in vitro studies.

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