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Comparative Inhibition Study of Compounds Identified in the Methanolic Extract of Apamarga Kshara Against Trichomonas vaginalis Carbamate Kinase (TvCK): An Enzoinformatics Approach

  • Sibhghatulla Shaikh
  • Hamida Aaqil
  • Syed Mohd. Danish Rizvi
  • Shazi ShakilEmail author
  • Adel M. Abuzenadah
  • Pragya Gupta
  • Soumya Saxena
  • Rohit Kr. Tiwari
  • Ajai Kumar
Original Research Article

Abstract

In the present study, we have identified ten compounds, namely dodecanol acid, myristic acid, neophytadiene, palmitic acid, heptadecanoic acid, linoleic acid, elaidic acid, 3-7-dimethyl acid, stearic acid and methyl eicos acid, of the methanolic extract of Apamarga Kshara by GC–MS analysis. Apamarga Kshara has been reported to be active against cervical erosion. Major causal organism for cervical erosion is Trichomonas vaginalis. However, there is a paucity of information about the mechanism of action and inhibitory effect of the biologically active natural compounds presented in A. Kshara against this organism (T. vaginalis). Therefore, present investigation was conducted to observe possible interactions of these compounds on T. vaginalis carbamate kinase using molecular docking software ‘AutoDock 4.2.’ Identification of the amino acid residues crucial for the interaction between T. vaginalis carbamate kinase and these natural compounds is of due scientific interest. The study will aid in efficacious and safe clinical use of the above-mentioned compounds.

Keywords

Apamarga Kshara AutoDock 4.2 Cervical erosion Trichomonas vaginalis carbamate kinase 

Notes

Acknowledgments

Shaikh S. is supported by INSPIRE grant from Department of Science and Technology, New Delhi, India (Grant No. IF130056), which is sincerely acknowledged. Shazi Shakil thanks all of the staff of Center of Innovation in Personalized Medicine (CIPM), King Abdulaziz University, Saudi Arabia, for continued support. The authors are thankful to Advanced Instrumentation Facility, University Science Instrumentation Centre, JNU, New Delhi, India, for the GC–MS analysis of the sample.

Compliance with Ethical Standards

Conflict of interest

The authors declare no potential conflict of interest with respect to the research, authorship and/or publication of this article.

Supplementary material

12539_2015_120_MOESM1_ESM.tif (829 kb)
Supplementary material 1 (TIFF 829 kb)

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Copyright information

© International Association of Scientists in the Interdisciplinary Areas and Springer-Verlag Berlin Heidelberg 2015

Authors and Affiliations

  • Sibhghatulla Shaikh
    • 1
  • Hamida Aaqil
    • 2
  • Syed Mohd. Danish Rizvi
    • 1
  • Shazi Shakil
    • 3
    • 4
    Email author
  • Adel M. Abuzenadah
    • 3
    • 4
  • Pragya Gupta
    • 5
  • Soumya Saxena
    • 1
  • Rohit Kr. Tiwari
    • 1
  • Ajai Kumar
    • 6
  1. 1.Department of BiosciencesIntegral UniversityLucknowIndia
  2. 2.Department of Amraz e NiswanFaculty of Unani Medicine, Jamia HamdardNew DelhiIndia
  3. 3.KACST Technology Innovation Center for Personalized Medicine at King Abdulaziz UniversityJeddahSaudi Arabia
  4. 4.Department of Medical Laboratory Technology, Faculty of Applied Medical SciencesKing Abdulaziz UniversityJeddahSaudi Arabia
  5. 5.St. Mary PolyclinicLucknowIndia
  6. 6.Advanced Instrumentation Facility, University Science Instrumentation CentreJNUNew DelhiIndia

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