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In-vitro and in silico efficacy of isolated alkaloid compounds from Rauvolfia tetraphylla L. against bovine filarial parasite Setaria cervi: a drug discovery approach.

Dipti Ranjan BeheraSunita Bhatnagar
Published in: Journal of parasitic diseases : official organ of the Indian Society for Parasitology (2018)
Bioassay guided isolation from the leaves of Rauvolfia tetraphylla L. resulted in the isolation and characterization of three compounds of alkaloid in nature namely, Curan-17-oic acid (F1); 18, 19-Secoyohimban (F2) and Reserpiline (F3). Macrofilaricidal activity of three compounds was tested against bovine filarial parasite Setaria cervi using in vitro assays and supported by in silico docking analysis on glutathione-S-transferase (GST) enzyme of Wuchereria bancrofti. All the molecules inhibited GST enzyme to some extent 35.78%, 78.22% and 64.21% respectively. Results were supported by molecular docking studies, which showed docking scores for compound F1 (- 5.14), compound F2 (- 7.19) and compound F3 (- 7.2) on GST enzyme. Thus, in conclusion the in vitro and in silico studies indicated that isolated compounds are promising, inexpensive and widely available natural leads, which can be designed and developed into the macrofilaricidal drugs.
Keyphrases
  • molecular docking
  • molecular dynamics simulations
  • drug discovery
  • molecular dynamics
  • protein protein
  • plasmodium falciparum
  • toxoplasma gondii
  • trypanosoma cruzi
  • drug induced
  • life cycle
  • data analysis