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:: Volume 8, Issue 2 (Spring 2021) ::
Environ. health eng. manag. 2021, 8(2): 107-122 Back to browse issues page
Peptides on a rescue mission against the hazardous cidal chemicals used in Eastern Indian Agriculture: An in-silico approach based on field survey in 2020
Debojyoti Chowdhury , Abhisekh Chhatar , Suman Nandan , Sanchari Swarupa , Ranjit Shaw , Seena Basu , Nitin Atre , Dinesh Khedkar
Corresponding author:Department of Botany, Shri Shivaji Science College, Amravati, Sant Gadgebaba Amravati University, Amravati, Maharashtra, 444603, India , sonudin@gmail.com
Abstract:   (1559 Views)
Background: The use of poisonous agrochemicals is both necessary and menacing for a farmer. The long-term hazards of chemicals can even be life threatening to many people. Recently, the adverse effects of such chemicals on the environment and human health received serious attention throughout the world. In an Indian context, the usage of the chemical sprays has costed many lives and influenced vital organs to the greatest extent. This serious situation advocates the search for ways to prevent the inhalation and absorption of these chemicals into the body. The present study was conducted to evaluate different types of chemical sprays, their impact, and explore remedial ways to neutralize their toxic effects.
Methods: Alpha-cypermethrin, phorate, fenobucarb, buprofezin, and mancozeb were selected for binding based on the feedback of severity in actions reported by the respondents and statistical analysis of different physical and chemical parameters. Chemical similarity analysis of the 39 cidal chemicals was performed to predict the binding similarity with respect to the above-mentioned 5 seed molecules. These five chemicals were docked with three different proteins 121p GTPase HRas, Torpedo acetylcholinesterase, and trypanosoma phosphoglycerate kinase, selected based on the common target prediction.
Results: Common target prediction revealed that these chemicals have an affinity to bind these proteins with a higher binding interaction towards the aromatic amino acid residues and those capable of H-bonding, escorted by a predilection towards acetylcholinesterase.
Conclusion: The in-silico findings are the basis to propose that acetylcholinesterase can be considered as a potential binding agent to trap fatal agrochemicals.
Keywords: Agrochemicals, Molecular docking analysis, Cypermethrin, Buprofezin, Fenobucarb, Acetylcholinesterase
eprint link: http://eprints.kmu.ac.ir/id/eprint/38083
Full-Text [PDF 3623 kb]   (432 Downloads)    
Type of Study: Original Article | Subject: Special
Received: 2021/05/10 | Accepted: 2021/02/28 | Published: 2021/02/28
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Chowdhury D, Chhatar A, Nandan S, Swarupa S, Shaw R, Basu S, et al . Peptides on a rescue mission against the hazardous cidal chemicals used in Eastern Indian Agriculture: An in-silico approach based on field survey in 2020. Environ. health eng. manag.. 2021; 8 (2) :107-122
URL: http://ehemj.com/article-1-741-en.html


Volume 8, Issue 2 (Spring 2021) Back to browse issues page
مجله مدیریت و مهندسی بهداشت محیط Environmental Health Engineering And Management Journal
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