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Identification of New Snake Venom Zinc Metalloproteinase Inhibitor using Docking Studies from Plectanthus amboinicus


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1 Department of Biochemistry, Sri Sankara Arts and Science College (Autonomous), Enathur – 631561., India
     

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Snake bites cause considerable morbidity and mortality worldwide. Snake bite can require intensive care since they are life-threatening injuries. India found to have the highest snakebite mortality in the world. World Health Organization (WHO) estimates place the number of bites to be 83,000 per annum with 11,000 deaths. Snake bite is one of the most neglected public health issues. Metalloproteinases are among the most abundant toxins in many Viperidae venoms. Snake venom zinc metalloproteinase (SVMP) causes haemorrhage. It also induces skeletal muscle damage and microvessel disruption. In the present study, strategy was planned to identify the drug against SVMP through bioinformatics tools. Docking was carried out between SVMP and chemical compounds retrieved from Plectanthus amboinicus. From the docking score two chemical compounds namely beta-sitosterol beta-D glucoside and euscaphic compound were selected with highest scores 5886 and 5180 respectively. By applying Lipinski’s rule of five, euscaphic compound found to be effective druggable inhibitor against SVMP enzyme.

Keywords

Snake Bite, Metalloproteinase, Plectanthus amboinicus, Docking, Inhibitor, Molinspiration, Patchdock.
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  • Identification of New Snake Venom Zinc Metalloproteinase Inhibitor using Docking Studies from Plectanthus amboinicus

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Authors

Subramaniam Sivakumar
Department of Biochemistry, Sri Sankara Arts and Science College (Autonomous), Enathur – 631561., India
P. Manju
Department of Biochemistry, Sri Sankara Arts and Science College (Autonomous), Enathur – 631561., India

Abstract


Snake bites cause considerable morbidity and mortality worldwide. Snake bite can require intensive care since they are life-threatening injuries. India found to have the highest snakebite mortality in the world. World Health Organization (WHO) estimates place the number of bites to be 83,000 per annum with 11,000 deaths. Snake bite is one of the most neglected public health issues. Metalloproteinases are among the most abundant toxins in many Viperidae venoms. Snake venom zinc metalloproteinase (SVMP) causes haemorrhage. It also induces skeletal muscle damage and microvessel disruption. In the present study, strategy was planned to identify the drug against SVMP through bioinformatics tools. Docking was carried out between SVMP and chemical compounds retrieved from Plectanthus amboinicus. From the docking score two chemical compounds namely beta-sitosterol beta-D glucoside and euscaphic compound were selected with highest scores 5886 and 5180 respectively. By applying Lipinski’s rule of five, euscaphic compound found to be effective druggable inhibitor against SVMP enzyme.

Keywords


Snake Bite, Metalloproteinase, Plectanthus amboinicus, Docking, Inhibitor, Molinspiration, Patchdock.

References