Moringa oleifera flower compounds as potent ligands to drug targets in PC3 cell lines - An in Silico analysis

  • Inbathamizh L
  • Padmini E
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Objective: Androgen-independent prostate cancer is an advanced hormone refractory stage of prostate cancer associated with increased risk. Before reconciling the medicinal effect of plant compounds commonly used by researchers, attention on the little known bioconstituents is essential for further refinement. On this aspect, the bioactive compounds of Moringa oleifera flowers were explored for their cytoprotective role in PC3 cell lines, the in vitro highly metastatic androgen-independent models of prostate cancer. Method: Glucosaminyl (N-acetyl) transferase 1 (GCNT1), cellular Prostatic acid phosphatase (cPAP), HER-2 (Human Epidermal growth factor Receptor 2) and ERK (Extracellular Regulated Kinase) which usually require cPAP for their dephosphorylation and inactivation, were chosen as the drug targets. M. oleifera flower compounds were analyzed for their interactions with the drug targets using in silico methods and calculated for their suitability to PC3 cell lines. Results: M. oleifera flower compounds exhibited more effective active site interactions when compared to the other compounds studied, with the mutated GCNT1 responsible for higher risk, and with ERK directly even in the absence of HER-2 and cPAP fitting the nature and growth of PC3 cells. Also, 66.5% of the experimented extract of M. oleifera flowers seemed to be target-specific to PC3 cell lines with greater number of target-specific interactions given by Quinic acid, alpha-Tocopherol-beta-D-mannoside, (4-Hydroxyphenyl) acetonitrile, Ethyl Oleate. Conclusion: The study illustrated the therapeutic application of M. oleifera flower compounds particularly Quinic acid as potent ligands to the drug targets in PC3 cell lines, in combating the manifestation of androgen-independent prostate cancer.

Author-supplied keywords

  • Androgen-independent prostate cancer
  • Drug targets
  • In silico methods
  • Ligands
  • Moringa oleifera
  • PC3 cell lines

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  • SGR: 84885346272
  • PUI: 369997509
  • SCOPUS: 2-s2.0-84885346272
  • ISSN: 09751491


  • L. Inbathamizh

  • E. Padmini

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