THEORETICAL APPROACH ON TARGETING PLANT FUNGAL PATHOGENIC PROTEINS AGAINST NATURALLY ISOLATED COMPOUNDS FROM CHITINIPHILUS SHINANONENSIS
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
2. David M, Geoffrey DR, Anthony PJT.21st Century Guidebook to Fungi. In: David M, Geoffrey DR, Anthony PJT, editors. Fungal diseases and loss of world agricultural production.2nd ed UK: Cambridge University Press;2019.
3. Ralph D, Jan ALV, Zacharias AP, Kim EH, Antonio DP, Pietro DS, Jason JR, Marty D, Regine K, Jeff E, Gary DF. The Top 10 fungal pathogens in molecular plant pathology. Molecular Plant Pathology 2012;13(4):414–430.
4. David M, Geoffrey DR, Anthony PJT. 21st Century Guidebook to Fungi. In: David M, Geoffrey DR, Anthony PJT, editors. Necrotrophic and biotrophic pathogens of plants.2nd ed UK: Cambridge University Press;2019.
5. Ulises CS, Horacio CC, Maria GVR, Alicia LM, Everardo LR, Maria GZP. Protein homology modeling docking and phylogenetic analyses of an endo-1,4-?-xylanase GH11 of Colletotrichum lindemuthianum. Mycological Progress 2017;16(6):577-591.
6. Mohammed A. An Overview of Distribution Biology and the Management of Common Bean Anthracnose. J Plant Pathol Microb 2013;4:193.
7. Bailey JA, O'Connell RJ, Nash C. Infection strategy of Colletotrichum lindemuthiamun species. In: Bailey JA, Jeger MJ, editors. Colletotrichum:Biology Pathology and Control CAB International.UK: Wallingford;1992.
8. Ulises CS, Horacio CC, Maria GVR, Alicia LM, Everardo LR, Maria GZP. Cloning and characterization of an endo-1,4-xylanase gene from Colletotrichum lindemuthianum and phylogenetic analysis of similar genes from phytopathogenic fungus. African Journal of Microbiology Research 2016; 10(32): 1292-1305.
9. Blair DE, Hekmat O, Schuttelkopf AW, Shrestha B, Tokuyasu K, Withers SG, VanAalten DMF. Structure and Mechanism of Chitin Deacetylase from the Fungal Pathogen Colletotrichum Lindemuthianum. Biochemistry 2006;45:941.
10. Armstrong GM, Armstrong JK. Formae speciales and races of Fusarium oxysporum causing wilt diseases. In : Cook R, editors. Fusarium: Diseases, Biology and Taxonomy University Park. PA: Penn State University Press; 1981. p. 391–399.
11. Ronald MC, Luisa OD, Ericsson CB. Targeted Metabolite Profiling-Based Identification of Antifungal 5-n-Alkylresorcinols Occurring in Different Cereals against Fusarium oxysporum. Molecules 2019; 24(4): 770.
12. Di X, Cao L, Hughes RK, Tintor N, Banfield MJ, Takken FLW. Structure-function analysis of the Fusarium oxysporum Avr2 effector allows uncoupling of its immune-suppressing activity from recognition. New Phytol 2017; 216(3): 897-914.
13. Beckman CH, Mueller WC. Response of xylem parenchyma cells in tomato to vascular infection by Fusarium oxysporum f.sp.lycopersici. Phytopathology 1987;77:1692–1693.
14. Petra M, Houterman LM, Gerben VO, Marianne JDV, Ben JC, Cornelissen FLW,Takken MR. The effector protein Avr2 of the xylem-colonizing fungus Fusarium oxysporum activates the tomato resistance protein I-2 intracellularly. Plant J 2009; 58(6): 970-8.
15. Wang Z, Han Q, Zi Q, Lv S, Qiu D, Zeng H. Enhanced disease resistance and drought tolerance in transgenic rice plants over expressing protein elicitors from Magnaporthe oryzae. PLoS ONE 2017; 12(4):e0175734.
16. Templeton MD, Lamb CJ. Elicitors and defence gene activation. Plant Cell Environ 1988; 11: 395–401.
17. Liu M, Duan L, Wang M, Zeng H, Liu X, Qiu D. Crystal Structure Analysis and the Identification of Distinctive Functional Regions of the Protein Elicitor Mohrip2. Front Plant Sci 2016; 26(7): 1103.
18. Chen M, Zhang C, Zi Q, Qiu D, Liu W, Zeng HA. Novel elicitor identified from Magnaporthe oryzae triggers defense responses in tobacco and rice. Plant Cell Rep 2014; 33(11):1865-79.
19. Mendoza MA, Berndt P, Djamei A, Weise C, Linne U, Marahiel M, Vranes M, Kamper J, Kahmann R. Physical–chemical plant derived signals induce differentiation in Ustilago maydis. Mol. Microbiol 2009; 71: 895–911.
20. Wahl R, Wippel K, Goos S, Kamper J. Sauer N. A novel high-affinity sucrose transporter is required for virulence of the plant pathogen Ustilago maydis. PLoS Biol 2010; 8:e1000303.
21. Steinberg G, Perez-Martin J. Ustilago maydis, a new fungal model system for cell biology. Trends Cell Biol 2008; 18: 61–67.
22. Dhivya S, Goyal AK , Suresh KC , Middha SK . Recent Updates on Computer-aided Drug Discovery: Time for a Paradigm Shift. Curr Top Med Chem 2017; 17(30): 3296-3307.
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