Bio-molecular dynamic analysis of Elastic network models predict the crystal structure of the snake (Bothrops asper)venom metalloproteinase Inhibitor binding

摘要

Bothrops asper is a one of the highest poisonous snake species family of viperidae.This snake venom toxins are proteins.It causes severe tissue necrosis in human.These Biomolecule contain some pathologic effects such as bleeding, inflammation, cardio toxic, cytotoxic, hemorrhage, myonecrosis, dernamonicrosis, blistering, and edema tissue damaging activities.Most of the snake venom toxins are still uncharacterized.Modern bioinformatics tools have been recently developed for these toxins some computational technique used to Biomolecule properties are analyzed.The crystal structure of snake venom metalloproteinase complex structure (2W14) retrieved from protein databank.Dynomics 1.0 is an online tool used to the protein elastic network models was predicted.One is Gaussian network model and another one is anisotropic network model.Those protein network (2W14) models construct and analysis the protein functional sites, residues, effectors, sensors, mean square fluctuation and B factors domain separation, domain movement, biological assemblies, homologous structure, sequence conservation, evolution properties, drug ability, inter node distance fluctuation, correlation, deformation energy all properties are calculated.The metalloproteinase protein contains Metzincins this drug cure various diseases in human kind.The metalloproteinase inhibitor main challenges for clinical studies.The snake bite pathological effects are caused few inhibitors are try to clinical trials.The (2W14) inhibitor was try to structurally whole properties are analyzed and they further research studies will focus on drug designing and molecular modeling areas.