Marmin of Aegle Marmelos Correa Antagonizes AChM3 Receptors: In Silico and In Vitro Studies on Isolated-Guinea Pig Illeum Smooth Muscle

Puguh Noviarsito, Sugeng Riyanto, Agung Endro Nugroho
2014 Journal of Mathematical and Fundamental Sciences  
A previous study has shown that ethanolic extract of leaves of A. marmelos Correa on isolated ileum had an antagonistic effect on the contraction induced by histamine. Apart from H 1 receptors, muscarinic acetylcholine (AChM) receptors are also involved in the mechanism of ileum contraction. Marmin is predicted to antagonize the AChM 3 receptors. This study was aimed at determining the effect of marmin on smooth muscle contraction of isolated guinea pig ileum induced by metacholine, an AChM 3
more » ... onist. The methods used were in vitro (isolated organ) and in silico (docking PLANTS) studies. In the in vitro study, marmin exhibited a competitive antagonistic effect at a concentration of 100 μM (pA 2 = 1,728) on the AChM 3 receptors. A reversibility assay of the AChM 3 receptors showed that by washing the ileum with Tyrode's buffer every 6 minutes for 30 minutes, the bond of marmin to the receptors was still not completely detached. In the in silico study, marmin was observed to be bound to the AchM 3 receptors (docking score: -102.086). The marmin bond was weaker than that of the native ligand of the AChM 3 receptors (tiotropium, docking score: -115.107), but stronger than that of the AChM3 receptor agonist and antagonist. Based on the results, we conclude that marmin has competitive antagonist activity on AChM 3 receptors.
doi:10.5614/j.math.fund.sci.2014.46.3.6 fatcat:fkkw4zhwkzgyrkmtrgtwutu7zm