IN SILICO DOCKING STUDIES OF SELECTIVE NATURAL INHIBITOR AGAINST PB1 PROTEIN OF INFLUENZA A (H1N1) VIRUS

Author(s): Akila Kannaiyan*

Abstract: The influenza A (H1N1) virus, also termed as swine flu is a prominent source of disease and death since 2009. Currently there is a requirement to discover novel anti-viral drugs for incapacitating the increases. Conventionally, many herbal extracts of ginger, kalmegh, garlic, ajwain, menthe, tulsi, green tea and turmeric etc. has been used as progressive source of inhibition and cure of human influenza. The H1N1 polymerase protein composed of viral proteins PB1, PB2, and PA, accumulates with viral RNA and nucleoprotein (NP) to mediate transcription and replication of the viral genome. It is engaged amino acid sequence of H1N1 PB1 subjected to build the tertiary structure by modeler and validated by Ramachandran Plot, SAVES and ProSA server. Additionally, the build structure was subjected to dock with six natural compounds of herbs by Flexx software. Utmost of the selected compounds exposed more inhibitory activity against PB1 of H1N1 by binding. The current study furthermore shows the interaction of these selected compounds with residues of PB1 protein. Moreover, among six natural compounds, Curcumin found in turmeric detected to inhibit PB1(wild) protein of H1N1, this is intensely sustained by least binding energy (-13.0595) and Curcumin from turmeric, Caffeic acid and theaflavin from green tea was observed to inhibit PB1(mutated) protein of H1N1and it is strongly sustained by lowest binding energy (-17.8434, -15.6946 and -13.3391). In future, it might be give awareness to in vitro and in vivo evaluation study for Curcumin, Caffeic acid and theaflavin for further.

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