Cargando…

Chemical reactivity, molecular electrostatic potential and in-silico analysis on benzimidazole fungicide benomyl

We are reporting theoretical concepts and biological activity of benomyl using different techniques. The molecular orbital contributions are studied by using Total Density of States (TDOS) analysis. The chemical reactivity of the molecule have been determined with the help of global reactivity descr...

Descripción completa

Detalles Bibliográficos
Autores principales:	Mol, G.P. Sheeja, Aruldhas, D., Joe, I. Hubert
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2022
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9647497/ https://www.ncbi.nlm.nih.gov/pubmed/36387528 http://dx.doi.org/10.1016/j.heliyon.2022.e11417

Ejemplares similares

Benomyl, a benzimidazole fungicide, induces oxidative stress and apoptosis in neural cells
por: Kara, Mehtap, et al.
Publicado: (2020)

Comparative study of the fungicide Benomyl toxicity on some plant growth promoting bacteria and some fungi in pure cultures
por: Elslahi, Randa H., et al.
Publicado: (2014)

Detection of Colletotrichum spp. Resistant to Benomyl by Using Molecular Techniques
por: Isa, Dalha Abdulkadir, et al.
Publicado: (2022)

Ameliorative Effects of the Sesquiterpenoid Valerenic Acid on Oxidative Stress Induced in HepG2 Cells after Exposure to the Fungicide Benomyl
por: Kara, Mehtap, et al.
Publicado: (2021)

Benomyl, Aldehyde Dehydrogenase, DOPAL, and the Catecholaldehyde Hypothesis for the Pathogenesis of Parkinson’s Disease
por: Casida, John E., et al.
Publicado: (2014)

Transcriptional Response of Candida auris to the Mrr1 Inducers Methylglyoxal and Benomyl
por: Biermann, Amy R., et al.
Publicado: (2022)

Electrostatic Potential Topology for Probing Molecular Structure, Bonding and Reactivity
por: Gadre, Shridhar R., et al.
Publicado: (2021)

Thiol-reactivity of the fungicide maneb
por: Roede, James R., et al.
Publicado: (2014)

Occupational Exposure Limits for ethylidene norbornene, ethyleneimine, benomyl, and 2,3-epoxypropyl methacrylate, and classifications on carcinogenicity
por: Araki, Atsuko, et al.
Publicado: (2018)

In-silico molecular design of heterocyclic benzimidazole scaffolds as prospective anticancer agents
por: Tahlan, Sumit, et al.
Publicado: (2019)

Agricultural chemicals. Book IV, Fungicides
Publicado: (1993)

A growing threat: Investigating the high incidence of benzimidazole fungicides resistance in Iranian Botrytis cinerea isolates
por: Mobasher Amini, Mohamad, et al.
Publicado: (2023)

Effect of benomyl and diazinon on acquired azole resistance in Aspergillus flavus and expression of mdr1 and cyp51c genes
por: Akbari Dana, Maryam, et al.
Publicado: (2019)

Sensitivity of Clarireedia spp. to benzimidazoles and dimethyl inhibitors fungicides and efficacy of biofungicides on dollar spot of warm season turfgrass
por: Ghimire, Bikash, et al.
Publicado: (2023)

Spectroscopic, Biological, and Topological Insights on Lemonol as a Potential Anticancer Agent
por: Ram Kumar, A., et al.
Publicado: (2023)

In silico Prediction, Characterization, Molecular Docking, and Dynamic Studies on Fungal SDRs as Novel Targets for Searching Potential Fungicides Against Fusarium Wilt in Tomato
por: Aamir, Mohd, et al.
Publicado: (2018)

Repurposing benzimidazole and benzothiazole derivatives as potential inhibitors of SARS-CoV-2: DFT, QSAR, molecular docking, molecular dynamics simulation, and in-silico pharmacokinetic and toxicity studies
por: Mohapatra, Ranjan K., et al.
Publicado: (2021)

In Vitro and In Silico Evaluations of the Antileishmanial Activities of New Benzimidazole-Triazole Derivatives
por: Eser, Mustafa, et al.
Publicado: (2023)

2D Leaf-Like Structured ZIF-L Embedded Electrochemically Reduced Graphene Oxide Composite as an Electrochemical Sensing Platform for Sensitively Detecting Benomyl
por: Shi, Min, et al.
Publicado: (2022)

Use of Molecular Dynamics for the Refinement of an Electrostatic Model for the In Silico Design of a Polymer Antidote for the Anticoagulant Fondaparinux
por: Cajiao, Adriana, et al.
Publicado: (2013)

Chemical Resistance of Diaporthe citri against Systemic Fungicides on Citrus
por: Soe, Zar Zar, et al.
Publicado: (2023)

Combined Machine Learning and Molecular Modelling Workflow for the Recognition of Potentially Novel Fungicides
por: Jović, Ozren, et al.
Publicado: (2020)

Quantum chemical assessment of benzimidazole derivatives as corrosion inhibitors
por: Obayes, Hasan R, et al.
Publicado: (2014)

Expanding the Chemical Space of Benzimidazole Dicationic Ionic Liquids
por: Mezzetta, Andrea, et al.
Publicado: (2021)

In-silico prediction of highly promising natural fungicides against the destructive blast fungus Magnaportheoryzae
por: Al Mamun Khan, Md Abdullah, et al.
Publicado: (2023)

Synthesis, characterization and in vitro, in vivo, in silico biological evaluations of substituted benzimidazole derivatives
por: Raka, Sabreena Chowdhury, et al.
Publicado: (2022)

Molecular electrostatic potentials: an effective tool for the elucidation of biochemical phenomena.
por: Politzer, P, et al.
Publicado: (1985)

Molecular interactions from the density functional theory for chemical reactivity: Interaction chemical potential, hardness, and reactivity principles
por: Miranda-Quintana, Ramón Alain, et al.
Publicado: (2022)

Chemical Basis of the Fungicidal Activity of Tobacco Extracts against Valsa mali
por: Duan, Suzhen, et al.
Publicado: (2016)

Fungicides; an advanced treatise.
Publicado: (1967)

Highly potent natural fungicides identified in silico against the cereal killer fungus Magnaporthe oryzae
por: Khan, Md. Arif, et al.
Publicado: (2022)

The Synthesis, Fungicidal Activity, and in Silico Study of Alkoxy Analogues of Natural Precocenes I, II, and III
por: Ramadan, Khaled M. A., et al.
Publicado: (2022)

In silico investigation of falcipain-2 inhibition by hybrid benzimidazole-thiosemicarbazone antiplasmodial agents: A molecular docking, molecular dynamics simulation, and kinetics study
por: Nkungli, Nyiang Kennet, et al.
Publicado: (2023)

Probing In Silico the Benzimidazole Privileged Scaffold for the Development of Drug-like Anti-RSV Agents
por: Cichero, Elena, et al.
Publicado: (2021)

Molecular Electrostatic Potential and Noncovalent Interactions in Derivatives of Group 8 Elements
por: Daolio, Andrea, et al.
Publicado: (2021)

Identification of new benzimidazole-triazole hybrids as anticancer agents: multi-target recognition, in vitro and in silico studies
por: Othman, Dina I. A., et al.
Publicado: (2023)

Fungicidal spectrum and biological properties of a new fungicide, pyriofenone
por: Ogawa, Munekazu, et al.
Publicado: (2023)

Efecto del encerado, Benomyl y refrigeración para retardar el empardecimiento y pérdida fisiológica de peso en los frutos de Litchi chinensis Sonn :
por: Vásquez Andrade, Adriana
Publicado: (2005)

Combining Biocontrol Agents with Chemical Fungicides for Integrated Plant Fungal Disease Control
por: Ons, Lena, et al.
Publicado: (2020)

Selected Fungicides as Potential EDC Estrogenic Micropollutants in the Environment
por: Jabłońska-Trypuć, Agata, et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_6q5lqln47q5j7v4o44dcadq73n