In cardiovascular system, activation of Endothelin receptors causes vasoconstriction which leads to Pulmonary Arterial
Hypertension (PAH). Endothelin receptor antagonism has emerged as an important therapeutic strategy in pulmonary arterial
hypertension. Bosentan is intended to affect vasoconstriction, hypertrophic and fibrotic effects by blocking the actions of receptors
ETA and ETB. In this study we identified the action of Bosentan on endothelin B receptor using docking studies with homology
modeled endothelin B receptor. Through the modeled protein, the flexible Docking study was performed with Bosentan and its
derivatives with theoretically predicted active sites. The results indicated that amino acid ARG82, ARG84 and HIS197 present in
endothelin B receptor are core important for binding activities and these residues are having strong hydrogen bond interactions
with Bosentan. We have investigated the Bosentan and its derivatives interactions and scoring parameters using gold docking
package. Among the docked compounds, one of the Bosentan derivatives BD6 shows better interaction than Bosentan with
endothelin B receptor. Our results may be helpful for further investigations in both in vivo and in vitro conditions.
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