Asian Journal of Research in Pharmaceutical Sciences

Open Access Open Access  Restricted Access Subscription Access
Open Access Open Access Open Access  Restricted Access Restricted Access Subscription Access

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


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

   Subscribe/Renew Journal


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.
Subscription Login to verify subscription
User
Notifications
Font Size


  • Williams D, Gutierrez JM, Harrison R, Warrell DA, White J, Winkel KD, and Gopalakrishnakone P. The Global Snake Bite Initiative: an antidote for snake bite. Lancet. 2010; 375: 89–91.

  • Warrell DA. Snake bite. Lancet. 2010; 375: 77–88.

  • Gold BS, Dart RC, and Barish RA. Bites of venomous snakes. N Engl J Med. 2002; 347: 347–356.

  • Kitchens CS, and Van Mierop LH. Envenomation by the Eastern coral snake (Micrurus fulvius fulvius). A study of 39 victims. JAMA. 1987; 258: 1615–1618.

  • Hifumi T, Atsushi Sakai, Akihiko Yamamoto, Masahiro Murakawa, Manabu Ato, Keigo Shibayama, Hiroshi Kato, Yuichi Koido, Junichi Inoue, Yuko Abe, Kenya Kawakita, Masanobu Hagiike, Akihiko Ginnaga, and Yasuhiro Kuroda. Effect of antivenom therapy of Rhabdophis tigrinus (Yamakagashi snake) bites. J Intensive Care. 2014; 2:44.

  • Hifumi T, Atsushi Sakai, Yutaka Kondo, Akihiko Yamamoto, Nobuya Morine, Manabu Ato, Keigo Shibayama, Kazuo Umezawa, Nobuaki Kiriu, Hiroshi Kato, Yuichi Koido, Junichi Inoue, Kenya Kawakita and Yasuhiro Kuroda. Venomous snake bites: clinical diagnosis and treatment. Journal of Intensive Care. 2015; 3:16.

  • Takeda S, Takeya H, and Iwanaga S. Snake venom metalloproteinases: structure, function and relevance to the mammalian ADAM/ADAMTS family proteins. Biochim Biophys Acta. 2012; 1824(1): 164-176.

  • Gutierrez JM, and Rucavado A., Snake venom metalloproteinases: their role in the pathogenesis of local tissue damage. Biochimie. 2000; 82(9-10): 841-850.

  • Report of the task force on Conservation and Sustainable use of Medicinal plants: Government of India – Planning Commission. 2000; 1-194.

  • Manjamalai, A., Tom Alexander, and Berlin Grace, VM. Bioactive evaluation of the essential oil of Plectranthus amboinicus by GCMS analysis and its role as a drug for microbial infections and inflammation. Int. J Pharm Pharm Sci. 2012; 4(3): 205-211.

  • Roshan P, Naveen M, and Manjul PS, Gulzar, Anita S and Sudarshan S. Plectranthus amboinicus (Lour) Spreng: an overview. The Pharma Research 2010; 4: 01-15.

  • UniProt: the universal protein knowledgebase, Nucleic Acids Res. 2017; 45: D158-D169.

  • Nielsen M, Lundegaard C, Lund O, and Petersen TN. CPHmodels-3.0 - Remote homology modeling using structure guided sequence profiles, Nucleic Acids Research. 2010; 38: doi:10.1093/nar/gkq535.

  • Schneidman-Duhovny D, Inbar Y, Nussinov R, and Wolfson HJ. PatchDock and SymmDock: servers for rigid and symmetric docking. Nucl. Acids. Res. 2005; 33: W363-367.

  • Ertl P, Rohde B, and Selzer P. Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties. J. Med. Chem. 2000; 43: 3714-3717.

  • Lipinski CA, Lombardo F, Dominy BW, Feeney PJ, Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug. Delivery Rev. 1997; 23: 4-25.


Abstract Views: 277

PDF Views: 0




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

Abstract Views: 277  |  PDF Views: 0

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