THEORETICAL APPROACH ON TARGETING PLANT FUNGAL PATHOGENIC PROTEINS AGAINST NATURALLY ISOLATED COMPOUNDS FROM CHITINIPHILUS SHINANONENSIS

  • KRITHIKA S Research scholar, Sathyabama University, Chennai-600119, Tamilnadu, India
  • CHELLARAM C Vel Tech Multitech Engineering College, Chennai-600062, Applied Biotechnology Department, Sur college of Applied Sciences, Sur-411, Oman

Abstract

Objective: The objective of this study to find the potency and bioefficacy of asiaticacid and triterpene against four different plants fungal pathogen using structure-based drug designing approach. 


Materials and methods: The pathogenic fungus which causes a dreadful effect on plants are reviewed from the literature study and its 3D structures are retrieved from the PDB database. On the other hand, ligands are prepared. Finally, prepared fungal drug targets are docked with naturally isolated compounds using autodock tools. 


Results: Both compounds asiaticacid and triterpene structures are complementary to bind at the active site of four different drug targets. Comparatively, it is more favorable for avr2 effector protein from Fusarium oxysporum with Ki value of 126.60 uM, 1.76uM and dock score value of -5.32kcal/mol and -7.85 kcal/mol for asiaticacid and triterpene respectively. Thus, interaction analysis was carried out only for these protein-ligand complex. 


Conclusion: The computational biology study states that these two compounds can be lead candidate for treating disease caused by plant fungal pathogen Fusarium oxysporum. But, further study has to be done in-vitro and in-vivo to prove its same efficacy

Keywords: Fungal pathogen, structure-based drug designing, auto dock tools, protein-ligand, computational biology, docking.

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S, K., and C. C. “THEORETICAL APPROACH ON TARGETING PLANT FUNGAL PATHOGENIC PROTEINS AGAINST NATURALLY ISOLATED COMPOUNDS FROM CHITINIPHILUS SHINANONENSIS”. Asian Journal of Pharmaceutical and Clinical Research, Vol. 12, no. 12, Oct. 2019, https://innovareacademics.in/journals/index.php/ajpcr/article/view/35639.
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