Molecular interaction studies of endosulfan with the cholinergic pathway targets – An insilico approach

Dilna, C.; Prasanth, Ganesh K.; Kanade, Santosh R.

doi:10.1016/j.comtox.2017.11.002

Cited by 10 publications

(5 citation statements)

References 27 publications

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“…Therefore, further in silico studies were essential to evaluating the protein with the suitable structures from publicly available databases, which can interact with the diseased protein for the identification of the molecules. 4,37,38…”

Section: Ligand Derived From Cas -Pubchemmentioning

confidence: 99%

“…The small molecules or ligands with chemical compounds were used for curing wound healing related diseases against many targets. 4,5 The interaction profile information of ligands acts as a key and lock pattern to inhibit the action of various proteins with functions. A specific option is given to the user to use homology-modeling tools and find a similar protein structure for carried out the docking with similar ligands based on a similarity score.…”

Section: Introductionmentioning

confidence: 99%

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Synthesis, Identification and in-silico Approach for wound Healing Potential in Gnaphalium polycaulon Extracts

Shanmugapriya¹,

Saravana²,

Karuppusamy³

et al. 2021

IJPER

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Aim/Background: The secondary metabolites can be identified from G. polycaulon and used as effective compounds for wound healing potential. The aims of the present study to identify the metabolites from G. polycaulon extracts by in silico study. Methods: The extraction of aqueous and methanolic G. polycaulon leaf extracts was subjected to characterization for silver nanoparticles. The phytoconstituents of the plant was analyzed by standard quantitative and quantitative methods. Then, the silver nanoparticles was synthesized and can be used for further in silico studies. Protein-ligand docking and modeling were studied by pharmacodynamics and kinetic study. Results: The identified bioactive metabolites were reported for in silico docking analysis. The similarity toolbox will give an easily utilized option for the identification of phytoconstituents with similar ligands based on a similarity score level. Greater interaction with target proteins has been observed for 2J67 (Toll-like receptor), 4MBS (Chemokine receptor), 1PWA (fibroblast growth factor), 4GR9 (melatonin receptor), 1A52 (estrogen receptor) and 2RH1 (adrenergic receptor) were docked with ligand from GC-MS compounds of selected test extracts and can easily find similarity score among all specific molecules in a simplified manner. Conclusion: the present study was the first report about the pharmacological activity of the G. polycaulon plant in the southern part of India. This plant possesses much beneficial ability due to bioactive phytocompounds. Thus, the present study concluded the ligands related to wound healing potential could be used for novel drug discovery in wound management.

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Section: Ligand Derived From Cas -Pubchemmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Synthesis, Identification and in-silico Approach for wound Healing Potential in Gnaphalium polycaulon Extracts

Shanmugapriya¹,

Saravana²,

Karuppusamy³

et al. 2021

IJPER

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“…Endosulfan is a broad-spectrum organochlorine pesticide used to suppress insect pests in homes and farms worldwide [1]. Endosulfan is sold as a 7:3 blend of alpha and beta isomers, with the alpha isomer having a longer half-life (approximately 157 days) and a more significant environmental impact.…”

Section: Introductionmentioning

confidence: 99%

The Effect of Endosulfan Pesticide in Some Biochemical Parameters of white Mice

Abd-Alkazem

Rabee

2023

IHJPAS

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The present study aimed to examine the effect of endosulfan insecticide on some molecular and biochemical parameters in white mice. Thirty mice were separated randomly into three groups for treatment with endosulfan. One group (G1) served as the control, while the other two groups received intraperitoneal injections of endosulfan G2 (3 mg/kg) and G3 (17 mg/kg) twice a week for 21 and 45 days, respectively. A biochemical study by measuring liver function parameters, including (alanine aminotransferase (ALT) and aspartate aminotransferase (AST)) and kidney function parameters, including (Blood Urea and Creatinine) and malondialdehyde (MDA), catalase activity (CAT). This study also tested DNA damage by comet assay (normal%, low%, medium%, high%). The results of renal function parameters (Blood Urea and Creatinine) were significantly increased in all treated groups after 21 and 45 days exposed to endosulfan compared with control groups. The highest value of blood urea recorded was (49.33 ±0.88 mg/dl) at 17 mg/kg for 45 days compared with the control group, and the highest value of Creatinine recorded was (1.81 ±0.13 mg/dl) at 17 mg/kg for 45 days compared with the control group. Liver function parameters (ALT and AST) significantly increased in all treated groups compared with control groups. The results of MDA, CAT enzyme, were significantly increased in all treated groups after 21 and 45 days compared with control groups. The highest value of MDA recorded was (3.93 ±0.07 μM) at 17 mg/kg for 45 days compared with the control group. Tail DNA (%) showed a significant increase at high concentrations, and the results showed a considerable increase in the severe damage of DNA in the treated group 17 mg\kg b.wt. (25.00 ±1.00)% for 45 days, compared with the control group (3.00 ±1.00) %.

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“…Systemic poisoning of endosulfan causes nervousness, agitation, tremors and convulsions [45]. Also gagging, vomiting [46] and diarrhea [47] are other possible symptoms of endosulfan poisoning. Additionally, several chronic effects in animals have also reported.…”

Section: Introductionmentioning

confidence: 99%

Endosulfan removal through bioremediation, photocatalytic degradation, adsorption and membrane separation processes: A review

Mudhoo

Bhatnagar

Rantalankila

et al. 2019

Chemical Engineering Journal

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Molecular interaction studies of endosulfan with the cholinergic pathway targets – An insilico approach

Cited by 10 publications

References 27 publications

Synthesis, Identification and in-silico Approach for wound Healing Potential in Gnaphalium polycaulon Extracts

Synthesis, Identification and in-silico Approach for wound Healing Potential in Gnaphalium polycaulon Extracts

The Effect of Endosulfan Pesticide in Some Biochemical Parameters of white Mice

Endosulfan removal through bioremediation, photocatalytic degradation, adsorption and membrane separation processes: A review

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