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87 to -5.67 BSSE corrected) in the water solvent for different adsorption geometries. The obtained results show that GO can act as a promising carrier/sensor for Sumatriptan drug in practical application.Communicated by Ramaswamy H. Sarma.Polymeric films for various biomedical applications require to be biocompatible and non- toxic. Chemical route of modifications for functionalization of the films for improved properties lead to undesirable effects for biological applications. Hence a natural way to enhancing their properties is by fu