Molecular dynamics and protein interaction studies of lipopeptide (Iturin A) on α- amylase of Spodoptera litura.
作者： P. Narendra Kumar , T.H. Swapna , Mohamed Yahya Khan , Jayasimha Rayalu Daddam , Bee Hameeda
DOI: 10.1016/J.JTBI.2016.12.003
关键词:
摘要: The small mottled willow moth (Spodoptera litura) is one of the best-known agricultural pest insects. To understand insecticidal activity, we have selected iturin A compound produced by Bacillus amyloliquefaciens RHNK22 which showed strongest and most common inhibitory effect on Spodoptera litura protein. In this work identified action α- amylase a major digestive enzyme using docking studies. 3D model from was generated 2HPH as template with help Modeller7v7. With aid molecular mechanics dynamics methods, final obtained further checked Procheck Verify graph programs, that refined reliable. model, adjustable study performed GOLD software. results indicated ARG 18, THR15, LEU42 in are important determinant residues binding they strong hydrogen bonding interactions A. These play an role for stability complex.
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