COUMARIN ANALOGUES AS A POTENTIAL INHIBITOR OF LEISHMANIASIS: A MULTI-TARGETING PROTEIN INHIBITION APPROACH BY MOLECULAR DOCKING

  • Kapish Kapoor School of Pharmacy, Devi Ahilya University, Takshshila Campus, Khandwa Road, Indore-452001, M.P., India

Abstract

Leishmaniasis is one of the most dreadful diseases as a leading cause of death in most of the developed countries. In the given study molecular docking study was performed on the library of coumarin analogues as anti-leishmaniasis agents. Total 300 coumarins analogues were taken from Pubmed and were studied using a molecular docking study on trypanothione reductase from Leishmania infantum (PDB code: 2JK6 and 2P18) and Leishmania mexicana (PDB code: 3PP7).
Molecular docking result revealed that most active compound COU-130 and COU-220 bind to the active site of the protein with amino acids present in the various proteins. In PDB 2JK6 the active compound binds to the amino acid thr-51 and ser-14 were binding to the active site, and in PDB 3PP7 the active compound binds amino acid thr-26 and in PDB 2P18 the active compound binds to the amino acid phe-219 and try-212. Further in vitro and in vivo study of selected coumarin analogues can be studied for their therapeutic potential in treating leishmaniasis.


Peer Review History:


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Received file


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Average Peer review marks at initial stage: 6.5/10


Average Peer review marks at publication stage: 8.5/10


Reviewer(s) detail:


Name: Dr. Anthony C. C. Egbuonu


Affiliation: Michael Okpara University of Agriculture, Nigeria


E-mail: tonycemalukegbuonu@yahoo.com


 


Name: Dr. Nicola Micale


Affiliation: University of Messina, Italy


E-mail: nmicale@unime.it


Comments of reviewer(s):


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Keywords: Coumarins, leishmaniasis, molecular docking
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How to Cite
Kapoor, K. “COUMARIN ANALOGUES AS A POTENTIAL INHIBITOR OF LEISHMANIASIS: A MULTI-TARGETING PROTEIN INHIBITION APPROACH BY MOLECULAR DOCKING”. Universal Journal of Pharmaceutical Research, Vol. 4, no. 3, July 2019, doi:https://doi.org/10.22270/ujpr.v4i3.268.
Section
Research Articles