Molecular docking for thrombolytic activity of some isolated compounds from Clausena lansium.

Authors

  • Arkajyoti Paul Department of Pharmacy, BGC Trust University Bangladesh, Chittagong-4000. GUSTO A Research Group, Chittagong-4000.
  • Mohuya Majumder Department of Pharmacy, BGC Trust University Bangladesh, Chittagong-4000. GUSTO A Research Group, Chittagong-4000.
  • Abdul Gafur Department of Pharmacy, Stamford University Bangladesh, Dhaka.
  • Sabrina Qureshi Department of Pharmacy, Faculty of Basic Medical & Pharmaceutical Sciences, University of Science & Technology Chittagong, Chittagong.
  • Joy Chakraborty Department of Pharmacy, BGC Trust University Bangladesh, Chittagong-4000. GUSTO A Research Group, Chittagong-4000.
  • Abdullah Al Masum GUSTO A Research Group, Chittagong-4000. Department of Pharmacy, International Islamic University Chittagong, Chittagong-4203.
  • Nazim Uddin Chy GUSTO A Research Group, Chittagong-4000. Department of Pharmacy, International Islamic University Chittagong, Chittagong-4203.
  • Mohammad Shah Hafez Kabir GUSTO A Research Group, Chittagong-4000. Department of Pharmacy, International Islamic University Chittagong, Chittagong-4203.

DOI:

https://doi.org/10.19230/jonnpr.1223

Keywords:

Clausena lansium, thrombolytic activity, Molecular docking, Clausemarin B

Abstract

Clausena lansium (Family- Rutaceae) is commonly known as wampee, is found in fallow lands throughout Bangladesh. Our aim of the study to performed molecular docking studies to identify potential binding affinities of the phytocompounds from Clausena lansium, namely Clausemarin B, Clausenaline C, Clausenaline E, Murrayanine, vanillic acid and Xanthotoxol for searching of lead molecule for thrombolytic activity. A wide range of docking score found during molecular docking by Schrodinger. Clausemarin B , Clausenaline C , Clausenaline E, Murrayanine , vanillic acid and Xanthotoxol showed the docking score -6.926, -4.041, -4.889 , -4.356, -3.007 and - 5.816 respectively. Among all the compounds Clausemarin B showed the best docking score. So, Clausemarin B is the best compounds for thrombolytic activity, as it possessed the best value in Molecular docking. Further in vivo investigation need to identify the thrombolytic activity of isolated compounds from Clausena lansium.

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Published

2017-01-08

Issue

Vol. 2 No. 3: (March 2017) JONNPR.2017;2(3)85-119

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Original

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