A Computational Study of the Role of Secondary Metabolites for Mitigation of Acid Soil Stress in Cereals Using Dehydroascorbate and Mono-Dehydroascorbate Reductases

Antioxidants

Muhammed Khairujjaman Mazumder¹  Debojyoti Moulick¹  Akbar Hossain²  Hayssam M. Ali³  Manzer H. Siddiqui³  Milan Skalicky⁴  Sandeep Kumar Tata⁵  Marian Brestic⁶  Dibakar Ghosh⁷  Parul Sharma⁸  Shuvasish Choudhury⁹ 

[1] Central Instrumentation Laboratory, Assam University, Silchar 788011, India;Department of Agronomy, Bangladesh Wheat and Maize Research Institute, Dinajpur 5200, Bangladesh;Department of Botany and Microbiology, College of Science, King Saud University, Riyadh 11451, Saudi Arabia;Department of Botany and Plant Physiology, Faculty of Agrobiology, Food, and Natural Resources, Czech University of Life Sciences Prague, Kamycka 129, 16500 Prague, Czech Republic;Department of Botany, Balmiki Rajniti Mahila College, Munger University, Munger 811201, India;Department of Plant Physiology, Slovak University of Agriculture, Nitra, Tr. A. Hlinku 2, 94901 Nitra, Slovakia;Division of Agronomy, ICAR-Indian Institute of Water Management, Bhubaneswar 751023, India;Don Bosco School, Silchar 788003, India;Plant Stress Biology and Metabolomics Laboratory, Department of Life Science and Bioinformatics, Assam University, Silchar 788011, India;

关键词: AsA-GSH cycle;    aluminum;    cereal crops;    DHAR;    electrostatic interactions;    manganese;   

DOI  :  10.3390/antiox11030458

来源: DOAJ

【 摘 要 】

The present study investigates the potential ameliorative role of seven secondary metabolites, viz., ascorbate (AsA), reduced glutathione (GSH), jasmonic acid (JA), salicylic acid (SA), serotonin (5-HT), indole–3–acetic acid (IAA) and gibberellic acid (GA3), for mitigation of aluminium (Al³⁺) and manganese (Mn²⁺) stress associated with acidic soils in rice, maize and wheat. The dehydroascorbate reductase (DHAR) and mono-dehydroascorbate reductase (MDHAR) of the cereals were used as model targets, and the analysis was performed using computational tools. Molecular docking approach was employed to evaluate the interaction of these ions (Al³⁺ and Mn²⁺) and the metabolites at the active sites of the two target enzymes. The results indicate that the ions potentially interact with the active sites of these enzymes and conceivably influence the AsA–GSH cycle. The metabolites showed strong interactions at the active sites of the enzymes. When the electrostatic surfaces of the metabolites and the ions were generated, it revealed that the surfaces overlap in the case of DHAR of rice and wheat, and MDHAR of rice. Thus, it was hypothesized that the metabolites may prevent the interaction of ions with the enzymes. This is an interesting approach to decipher the mechanism of action of secondary metabolites against the metal or metalloid - induced stress responses in cereals by aiming at specific targets. The findings of the present study are reasonably significant and may be the beginning of an interesting and useful approach towards comprehending the role of secondary metabolites for stress amelioration and mitigation in cereals grown under acidic soil conditions.

【 授权许可】

Unknown