In silico analysis of binding interaction of conantokins with NMDA receptors for potential therapeutic use in Alzheimer’s disease
Abstract Background The N-methyl-D-aspartate (NMDA) receptors are glutamate receptors that play vital roles in central nervous system development and are involved in synaptic plasticity, which is an essential process for learning and memory. The subunit N-methyl D-aspartate receptor subtype 2B (NR2B...
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ftdoajarticles:oai:doaj.org/article:0bc6d5d82d5c467dacca39fc48a00168 2023-05-15T15:08:33+02:00 In silico analysis of binding interaction of conantokins with NMDA receptors for potential therapeutic use in Alzheimer’s disease Maleeha Waqar Sidra Batool 2017-09-01T00:00:00Z https://doi.org/10.1186/s40409-017-0132-9 https://doaj.org/article/0bc6d5d82d5c467dacca39fc48a00168 EN eng SciELO http://link.springer.com/article/10.1186/s40409-017-0132-9 https://doaj.org/toc/1678-9199 doi:10.1186/s40409-017-0132-9 1678-9199 https://doaj.org/article/0bc6d5d82d5c467dacca39fc48a00168 Journal of Venomous Animals and Toxins including Tropical Diseases, Vol 23, Iss 1, Pp 1-12 (2017) N-methyl-D-aspartate Glutamate Synaptic plasticity NR2B Neurotransmitter Antagonists Arctic medicine. Tropical medicine RC955-962 Toxicology. Poisons RA1190-1270 Zoology QL1-991 article 2017 ftdoajarticles https://doi.org/10.1186/s40409-017-0132-9 2022-12-30T22:54:59Z Abstract Background The N-methyl-D-aspartate (NMDA) receptors are glutamate receptors that play vital roles in central nervous system development and are involved in synaptic plasticity, which is an essential process for learning and memory. The subunit N-methyl D-aspartate receptor subtype 2B (NR2B) is the chief excitatory neurotransmitter receptor in the mammalian brain. Disturbances in the neurotransmission mediated by the NMDA receptor are caused by its overexposure to glutamate neurotransmitter and can be treated by its binding to an antagonist. Among several antagonists, conantokins from cone snails are reported to bind to NMDA receptors. Methods This study was designed to analyze the binding mode of conantokins with NMDA receptors in both humans and rats. To study interactions, dockings were performed using AutoDock 4.2 and their results were further analyzed using various computational tools. Results Detailed analyses revealed that these ligands can bind to active site residues of both receptors as reported in previous studies. Conclusions In light of the present results, we suggest that these conantokins can act as antagonists of those receptors and play an important role in understanding the importance of inhibition of NMDA receptors for treatment of Alzheimer’s disease. Article in Journal/Newspaper Arctic Directory of Open Access Journals: DOAJ Articles Arctic Journal of Venomous Animals and Toxins including Tropical Diseases 23 1 |
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Open Polar |
collection |
Directory of Open Access Journals: DOAJ Articles |
op_collection_id |
ftdoajarticles |
language |
English |
topic |
N-methyl-D-aspartate Glutamate Synaptic plasticity NR2B Neurotransmitter Antagonists Arctic medicine. Tropical medicine RC955-962 Toxicology. Poisons RA1190-1270 Zoology QL1-991 |
spellingShingle |
N-methyl-D-aspartate Glutamate Synaptic plasticity NR2B Neurotransmitter Antagonists Arctic medicine. Tropical medicine RC955-962 Toxicology. Poisons RA1190-1270 Zoology QL1-991 Maleeha Waqar Sidra Batool In silico analysis of binding interaction of conantokins with NMDA receptors for potential therapeutic use in Alzheimer’s disease |
topic_facet |
N-methyl-D-aspartate Glutamate Synaptic plasticity NR2B Neurotransmitter Antagonists Arctic medicine. Tropical medicine RC955-962 Toxicology. Poisons RA1190-1270 Zoology QL1-991 |
description |
Abstract Background The N-methyl-D-aspartate (NMDA) receptors are glutamate receptors that play vital roles in central nervous system development and are involved in synaptic plasticity, which is an essential process for learning and memory. The subunit N-methyl D-aspartate receptor subtype 2B (NR2B) is the chief excitatory neurotransmitter receptor in the mammalian brain. Disturbances in the neurotransmission mediated by the NMDA receptor are caused by its overexposure to glutamate neurotransmitter and can be treated by its binding to an antagonist. Among several antagonists, conantokins from cone snails are reported to bind to NMDA receptors. Methods This study was designed to analyze the binding mode of conantokins with NMDA receptors in both humans and rats. To study interactions, dockings were performed using AutoDock 4.2 and their results were further analyzed using various computational tools. Results Detailed analyses revealed that these ligands can bind to active site residues of both receptors as reported in previous studies. Conclusions In light of the present results, we suggest that these conantokins can act as antagonists of those receptors and play an important role in understanding the importance of inhibition of NMDA receptors for treatment of Alzheimer’s disease. |
format |
Article in Journal/Newspaper |
author |
Maleeha Waqar Sidra Batool |
author_facet |
Maleeha Waqar Sidra Batool |
author_sort |
Maleeha Waqar |
title |
In silico analysis of binding interaction of conantokins with NMDA receptors for potential therapeutic use in Alzheimer’s disease |
title_short |
In silico analysis of binding interaction of conantokins with NMDA receptors for potential therapeutic use in Alzheimer’s disease |
title_full |
In silico analysis of binding interaction of conantokins with NMDA receptors for potential therapeutic use in Alzheimer’s disease |
title_fullStr |
In silico analysis of binding interaction of conantokins with NMDA receptors for potential therapeutic use in Alzheimer’s disease |
title_full_unstemmed |
In silico analysis of binding interaction of conantokins with NMDA receptors for potential therapeutic use in Alzheimer’s disease |
title_sort |
in silico analysis of binding interaction of conantokins with nmda receptors for potential therapeutic use in alzheimer’s disease |
publisher |
SciELO |
publishDate |
2017 |
url |
https://doi.org/10.1186/s40409-017-0132-9 https://doaj.org/article/0bc6d5d82d5c467dacca39fc48a00168 |
geographic |
Arctic |
geographic_facet |
Arctic |
genre |
Arctic |
genre_facet |
Arctic |
op_source |
Journal of Venomous Animals and Toxins including Tropical Diseases, Vol 23, Iss 1, Pp 1-12 (2017) |
op_relation |
http://link.springer.com/article/10.1186/s40409-017-0132-9 https://doaj.org/toc/1678-9199 doi:10.1186/s40409-017-0132-9 1678-9199 https://doaj.org/article/0bc6d5d82d5c467dacca39fc48a00168 |
op_doi |
https://doi.org/10.1186/s40409-017-0132-9 |
container_title |
Journal of Venomous Animals and Toxins including Tropical Diseases |
container_volume |
23 |
container_issue |
1 |
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1766339888858267648 |