Detail publikace

In-silico studies of Cu-Zn superoxide dismutase enzyme from helianthus annuus with polycyclic aromatic hydrocarbons to find out insight into its phytoremediation capabilities

ROY, S. SONI, G. SHARMA, A. PROVAZNÍK, I.

Originální název

In-silico studies of Cu-Zn superoxide dismutase enzyme from helianthus annuus with polycyclic aromatic hydrocarbons to find out insight into its phytoremediation capabilities

Český název

In-silico studies of Cu-Zn superoxide dismutase enzyme from helianthus annuus with polycyclic aromatic hydrocarbons to find out insight into its phytoremediation capabilities

Anglický název

In-silico studies of Cu-Zn superoxide dismutase enzyme from helianthus annuus with polycyclic aromatic hydrocarbons to find out insight into its phytoremediation capabilities

Typ

článek ve sborníku

Jazyk

en

Originální abstrakt

Cu-Zn superoxide dismutase is an enzyme that is reported to detoxify heavy metals and thus aid in phytoremediation. In this study an effort has been made to explore the wide potential of Cu-Zn superoxide dismutase enzyme found in Helianthus annuus for its capability to degrade pollutants of several industries which are mainly polycyclic aromatic hydrocarbons. It includes pollutants from iron, steel, rubber, stone and glass industries. Comparative Genornics approach was employed in order to deduce the similarity between Aldehyde Keto Reductase (AKRs) related ESTs and gene corresponding to Cu-Zn superoxide dismutase (SOD1) in Helianthus annuus. This was followed by modeling of Cu-Zn superoxide dismutase protein. Motif and profile studies correlated the findings. Physico-chemical and functional characterization of the modeled protein was performed. The modeled protein is thermostable over wide range of temperatures and also has high aliphatic index. For molecular docking, a set of pollutants were selected from five different industries. The data were obtained from Environment Protection Agency (EPA) for iron, steel, rubber, stone and glass industries. Protein-ligand docking was carried out using Discovery Studio. Dibenzofuran, anthracene, Butyl benzyl phthalate, Tetrabromobisphenol, Mercaptobenzothiazole, Flumeturon and phenyl isocyanate dimer from different industries showed better binding capability with the Cu-Zn Superoxide Dismutase protein. These findings needs to be further tested in the field condition for its validation. These studies may open new avenues for utilizing the medicinal plants and their detoxifying properties for remediation of hazardous pollutants.

Český abstrakt

Cu-Zn superoxide dismutase is an enzyme that is reported to detoxify heavy metals and thus aid in phytoremediation. In this study an effort has been made to explore the wide potential of Cu-Zn superoxide dismutase enzyme found in Helianthus annuus for its capability to degrade pollutants of several industries which are mainly polycyclic aromatic hydrocarbons. It includes pollutants from iron, steel, rubber, stone and glass industries. Comparative Genornics approach was employed in order to deduce the similarity between Aldehyde Keto Reductase (AKRs) related ESTs and gene corresponding to Cu-Zn superoxide dismutase (SOD1) in Helianthus annuus. This was followed by modeling of Cu-Zn superoxide dismutase protein. Motif and profile studies correlated the findings. Physico-chemical and functional characterization of the modeled protein was performed. The modeled protein is thermostable over wide range of temperatures and also has high aliphatic index. For molecular docking, a set of pollutants were selected from five different industries. The data were obtained from Environment Protection Agency (EPA) for iron, steel, rubber, stone and glass industries. Protein-ligand docking was carried out using Discovery Studio. Dibenzofuran, anthracene, Butyl benzyl phthalate, Tetrabromobisphenol, Mercaptobenzothiazole, Flumeturon and phenyl isocyanate dimer from different industries showed better binding capability with the Cu-Zn Superoxide Dismutase protein. These findings needs to be further tested in the field condition for its validation. These studies may open new avenues for utilizing the medicinal plants and their detoxifying properties for remediation of hazardous pollutants.

Anglický abstrakt

Cu-Zn superoxide dismutase is an enzyme that is reported to detoxify heavy metals and thus aid in phytoremediation. In this study an effort has been made to explore the wide potential of Cu-Zn superoxide dismutase enzyme found in Helianthus annuus for its capability to degrade pollutants of several industries which are mainly polycyclic aromatic hydrocarbons. It includes pollutants from iron, steel, rubber, stone and glass industries. Comparative Genornics approach was employed in order to deduce the similarity between Aldehyde Keto Reductase (AKRs) related ESTs and gene corresponding to Cu-Zn superoxide dismutase (SOD1) in Helianthus annuus. This was followed by modeling of Cu-Zn superoxide dismutase protein. Motif and profile studies correlated the findings. Physico-chemical and functional characterization of the modeled protein was performed. The modeled protein is thermostable over wide range of temperatures and also has high aliphatic index. For molecular docking, a set of pollutants were selected from five different industries. The data were obtained from Environment Protection Agency (EPA) for iron, steel, rubber, stone and glass industries. Protein-ligand docking was carried out using Discovery Studio. Dibenzofuran, anthracene, Butyl benzyl phthalate, Tetrabromobisphenol, Mercaptobenzothiazole, Flumeturon and phenyl isocyanate dimer from different industries showed better binding capability with the Cu-Zn Superoxide Dismutase protein. These findings needs to be further tested in the field condition for its validation. These studies may open new avenues for utilizing the medicinal plants and their detoxifying properties for remediation of hazardous pollutants.

Klíčová slova

Helianthus Annuus, Phytoremediation, Polycyclic Hydrocarbons, Molecular Docking

Rok RIV

2014

Vydáno

30.09.2014

Nakladatel

International Phytotechnology Society

Místo

Crete, Greece

ISBN

978-960-6865-81-7

Kniha

11th International Phytotechnologies Conference

Edice

11

Strany od

189

Strany do

189

Strany počet

1

BibTex


@inproceedings{BUT110436,
  author="Sudeep {Roy} and Garima {Soni} and Ashok {Sharma} and Ivo {Provazník}",
  title="In-silico studies of Cu-Zn superoxide dismutase enzyme from helianthus annuus with polycyclic aromatic hydrocarbons to find out insight into its phytoremediation capabilities",
  annote="Cu-Zn superoxide dismutase is an enzyme that is reported to detoxify heavy metals and thus aid in phytoremediation. In this study an effort has been made to explore the wide potential of Cu-Zn superoxide dismutase enzyme found in Helianthus annuus for its capability to degrade pollutants of several industries which are mainly polycyclic aromatic hydrocarbons. It includes pollutants from iron, steel, rubber, stone and glass industries. Comparative Genornics approach was employed in order to deduce the similarity between Aldehyde Keto Reductase (AKRs) related ESTs and gene corresponding to Cu-Zn superoxide dismutase (SOD1) in Helianthus annuus. This was followed by modeling of Cu-Zn superoxide dismutase protein. Motif and profile studies correlated the findings. Physico-chemical and functional characterization of the modeled protein was performed. The modeled protein is thermostable over wide range of temperatures and also has high aliphatic index. For molecular docking, a set of pollutants were selected from five different industries. The data were obtained from Environment Protection Agency (EPA) for iron, steel, rubber, stone and glass industries. Protein-ligand docking was carried out using Discovery Studio. Dibenzofuran, anthracene, Butyl benzyl phthalate, Tetrabromobisphenol, Mercaptobenzothiazole, Flumeturon and phenyl isocyanate dimer from different industries showed better binding capability with the Cu-Zn Superoxide Dismutase protein. These findings needs to be further tested in the field condition for its validation. These studies may open new avenues for utilizing the medicinal plants and their detoxifying properties for remediation of hazardous pollutants.",
  address="International Phytotechnology Society",
  booktitle="11th International Phytotechnologies Conference",
  chapter="110436",
  edition="11",
  howpublished="print",
  institution="International Phytotechnology Society",
  year="2014",
  month="september",
  pages="189--189",
  publisher="International Phytotechnology Society",
  type="conference paper"
}