DRUG REPURPOSING: IN SILICO BASED STUDY ON REPURPOSING PHYTOCHEMICALS ON INFLUENZA

Abstract

By and by, the world is in a battle with the novel Influenza and with no prompt medicines accessible the scourge brought about by the disease is expanding step by step. A ton of researchers are continuing for the potential medication up-and-comer that could help the medical care framework in this battle. In recent years, studies of phytoconstituents have gradually increased worldwide because the natural sources and variety of such plants allow them to complement modern pharmacological approaches. As computer technology has developed, in silico approaches such as virtual screening and network analysis have been widely utilized in efforts to elucidate the pharmacological basis of the functions of phytoconstituents. We present a docking?based screening using a quantum mechanical scoring of a library built from approved drugs and compounds that Curcumin, Gallic Acid, Phenethyl Isothiocyanate, Piperine, with Proteins Neuraminidase, Hemagglutinin, M1 and M2 Matrix proteins having PDB IDs 3BEQ, 4WE8, 5V6G, 6BKL respectively, could display antiviral activity against Influenza. Clearly, these compounds should be further evaluated in experimental assays and clinical trials to confirm their actual activity against the disease. We hope that these findings may contribute to the rational drug design against Influenza.

Keywords: PDB IDs 3BEQ, 4WE8, 5V6G, 6BKL