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

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Title A Computational Study of the Role of Secondary Metabolites for Mitigation of Acid Soil Stress in Cereals Using Dehydroascorbate and Mono-Dehydroascorbate Reductases
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Creator Shuvasish Choudhury
Muhammed Khairujjaman Mazumder
Debojyoti Moulick
Parul Sharma, Sandeep Kumar Tata, Dibakar Ghosh, Hayssam M. Ali, Manzer H. Siddiqui, Marian Brestic, Milan Skalicky and Akbar Hossain
 
Subject AsA-GSH cycle; aluminum; cereal crops; DHAR; electrostatic interactions; manganese; MDHAR Antioxidants
 
Description Research article
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.
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Date 2024-02-09T17:36:39Z
2024-02-09T17:36:39Z
2022-02-21
 
Type Article
 
Identifier Choudhury, S.; Mazumder, M.K.; Moulick, D.; Sharma, P.; Tata, S.K.; Ghosh, D.; Ali, H.M.; Siddiqui, M.H.; Brestic, M.; Skalicky, M.; et al. A Computational Study of the Role of Secondary Metabolites for Mitigation of Acid Soil Stress in Cereals Using Dehydroascorbate and Mono-Dehydroascorbate Reductases. Antioxidants 2022, 11, 458. https:// doi.org/10.3390/antiox11030458
ISSN (electronic) 2076-3921
http://krishi.icar.gov.in/jspui/handle/123456789/81346
 
Language English
 
Relation Not Available;
 
Publisher MDPI, Basel, Switzerland