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Retraction notice to "Pesticide pollutants in the environment - A critical review on remediation techniques, mechanism and toxicological impact"[Chemosphere 301 (2022) 134754]

Akash S, Sivaprakash B, Rajamohan N, Pandiyan CM, Vo DN

Chemosphere, 2025 Feb;370:143840.
PMID: 39734149 DOI: 10.1016/j.chemosphere.2024.143840

This article has been retracted: please see Elsevier Policy on Article Withdrawal (https://www.elsevier.com/about/policies/article-withdrawal). .
Pesticide pollutants in the environment - A critical review on remediation techniques, mechanism and toxicological impact

Akash S, Sivaprakash B, Rajamohan N, Pandiyan CM, Vo DN

Chemosphere, 2022 Aug;301:134754.
PMID: 35490750 DOI: 10.1016/j.chemosphere.2022.134754

The excessive and unorganised utilisation of pesticides have posed negative impacts on soil and water at higher levels. Pesticides are a major class of persistent organic compounds with high resistance to natural biodegradation and enhanced tendency to bio accumulate. The severe health hazards imposed on the living organisms hinder the ecosystem and lead to chronic and irreversible health issues. Photocatalytic method is reported as a potential alternative with a variety of techniques and materials that are safer, easier, durable, cost-effective and efficient. Nanomaterials play a key role in this domain due to their versatility. In particular, nanostructured materials of organized shapes and morphological properties have gained enormous attention in research and real-time applications. Specifically, nanomaterials like nanotubes, nanorods and nanowires have unique properties and anisotropic structure that make them more suitable for treating pesticide wastes with photocatalysis. Variety of tuning methods and materials are emerging to enhance the activity of titanium and zinc based nanocatalysts in remediation methods. In the present article, four pesticides, namely, atrazine, chlorpyrifos, paraquat and naphthalene are chosen due to their common occurrence and usage in agricultural applications. These pesticides are highly toxic and need special attention to explore appropriate remediation methods. The report also details the latest innovations reported by several research studies in exploring the potential of specially synthesised nanoparticles for photocatalytic removal of pesticide pollutants from environment. For zinc-based hybrid nanomaterials, the maximum disintegration reported were 99%, 98%, 73.3% and 92.3% for atrazine, chlorpyrifos, paraquat and naphthalene, respectively.
Development of a new drug candidate for the inhibition of Lassa virus glycoprotein and nucleoprotein by modification of evodiamine as promising therapeutic agents

Akash S, Baeza J, Mahmood S, Mukerjee N, Subramaniyan V, Islam MR, et al.

Front Microbiol, 2023;14:1206872.
PMID: 37497547 DOI: 10.3389/fmicb.2023.1206872

The Lassa virus (LASV), an RNA virus prevalent in West and Central Africa, causes severe hemorrhagic fever with a high fatality rate. However, no FDA-approved treatments or vaccines exist. Two crucial proteins, LASV glycoprotein and nucleoprotein, play vital roles in pathogenesis and are potential therapeutic targets. As effective treatments for many emerging infections remain elusive, cutting-edge drug development approaches are essential, such as identifying molecular targets, screening lead molecules, and repurposing existing drugs. Bioinformatics and computational biology expedite drug discovery pipelines, using data science to identify targets, predict structures, and model interactions. These techniques also facilitate screening leads with optimal drug-like properties, reducing time, cost, and complexities associated with traditional drug development. Researchers have employed advanced computational drug design methods such as molecular docking, pharmacokinetics, drug-likeness, and molecular dynamics simulation to investigate evodiamine derivatives as potential LASV inhibitors. The results revealed remarkable binding affinities, with many outperforming standard compounds. Additionally, molecular active simulation data suggest stability when bound to target receptors. These promising findings indicate that evodiamine derivatives may offer superior pharmacokinetics and drug-likeness properties, serving as a valuable resource for professionals developing synthetic drugs to combat the Lassa virus.
New Approach as Inhibitor Against Head-Neck Cancer by In silico, DFT, FMOs, Docking, Molecular Dynamic, and ADMET of Euphorbia tirucalli (Pencil Cactus)

Al Mashud MA, Devnath R, Anzuman M, Sumona MI, Hossain MS, Kumer A, et al.

Med Chem, 2025;21(2):122-143.
PMID: 40007184 DOI: 10.2174/0115734064315601240628115330

BACKGROUND: Head and neck cancer (HNC) is on the rise worldwide, endangering lives and straining healthcare systems in both developing and developed nations. Despite the availability of a number of therapy options, the success rate for treating and controlling head and neck cancer remains dismal. To combat the aggressiveness and drug resistance of Epstein-Barr virus (EBV)-positive Head-Neck cancer cells, this study looks into the potential of Euphorbia tirucalli (pencil cactus) leaf extract.
OBJECTIVES: The goal of this study is to identify prospective therapeutic candidates from the extract of Euphorbia tirucalli (pencil cactus) leaves, which have the ability to inhibit Epstein-Barr virus (EBV)-positive Head- Neck cancer cells.
MATERIALS AND METHODS: The thirteen most important chemical components found in Euphorbia tirucalli (pencil cactus) leaves were analyzed by means of molecular modeling techniques such as Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET), Quantum Mechanics (QM) calculation, molecular docking, and molecular dynamics (MD) simulations. Using the Prediction of Activity Spectra for Substances (PASS) model, we assess the potency of these compounds. Important molecular properties such as chemical potential, electronegativity, hardness, and softness can be determined with the use of quantum chemical calculations employing HOMO-LUMO analysis. These drugs' safety and toxicological characteristics are better understood to assessments of their pharmacokinetics and ADMET. Finally, molecular dynamics simulations are employed to verify binding interactions and assess the stability of docked complexes.
RESULTS: The molecular docking analysis identifies ligands (01), (02), and (10) as strong competitors, with strong binding affinity for the Epstein-Barr virus (EBV)-positive Head-Neck cancer cell line. Not only do the ligands (01), (02), and (10) match the criteria for a potential new inhibitor of head-neck cancer, but they also outperform the present FDA-approved treatment.
CONCLUSION: Taraxerol, euphol, and ephorginol, three phytochemicals isolated from the leaves of the Euphorbia tirucalli (pencil cactus), have been identified as effective anti-cancer agents with the potential to serve as a foundation for novel head-neck cancer therapies, particularly those targeting the Epstein-Barr virus (EBV)-overexpressing subtype of this disease. An effective, individualized treatment plan for head-neck cancer is a long way off, but this study is a major step forward that could change the lives of patients and reduce the global burden of this disease.
Unveiling Curvularia tuberculata-induced leaf anomalies in Rhododendron ferrugineum: implications in cultural-ecological conservation and harnessing microbial intervention in socio-economic advancement

Dhar J, Hazra A, Patra R, Kumar V, Subramaniyan V, Kumarasamy V, et al.

Front Microbiol, 2023;14:1280120.
PMID: 38274748 DOI: 10.3389/fmicb.2023.1280120

INTRODUCTION: The research focuses on Rhododendron ferrugineum L., Nepal's national flower and Uttarakhand's state tree, thriving in high-altitude mountain ecosystems.
METHODOLOGY AND RESULT: A study conducted in Himachal Pradesh (Latitude: N 31° 6' 2.0088", Longitude: E 77° 10' 29.9136") identified leaf anomalies resembling rust-like manifestations in R. ferrugineum. These anomalies were traced back to the pathogenic fungus Curvularia tuberculata, marking the first documented case of its impact on R. ferrugineum in India.
DISCUSSION: This discovery emphasizes the need for vigilant monitoring, disease management research, and conservation efforts to protect the cultural and ecological significance of this iconic shrub. Beyond its immediate findings, the study introduces a novel dimension to Indian flora by associating C. tuberculata with R. ferrugineum, historically linked to monocotyledonous crops. The research methodology combines traditional microscopic examination with advanced genomic sequencing and phylogenetic analysis, enhancing pathogen identification accuracy.
FUTURE PROSPECT: In a broader context, this research aligns with the United Nations Sustainable Development Goals (SDGs) by highlighting the importance of environmental preservation, conservation, and sustainable management. It underscores the intricate interplay between biodiversity, cultural heritage, and the need for holistic solutions. Overall, this study calls for proactive measures to protect R. ferrugineum's cultural and ecological heritage and emphasizes the significance of interdisciplinary approaches in addressing emerging ecological threats.