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- W4280493882 abstract "Insect vector-borne diseases pose serious health problems, so there is a high demand for efficient molecules that could reduce transmission. Using molecular docking and molecular dynamics (MD) simulation, we studied a series of compounds acting on human and insect muscarinic acetylcholine receptors (mAChRs), a novel target of synergistic agents in pest control. We characterized early conformational changes of human M1 and fruit fly type-A mAChR G protein-coupled receptors (GPCRs) in response to DEET, IR3535, and muscarine binding based on the MD analysis of the activation microswitches known to form the signal transduction pathway in class A GPCRs. We indicated groups of microswitches that are the most affected by the presence of a ligand. Moreover, to increase selectivity towards insects, we proposed a new, bitopic, photoswitchable mAChR ligand-BQCA-azo-IR353 and studied its interactions with both receptors. Modeling data showed that using a bitopic ligand may be a promising strategy in the search for better insect control." @default.
- W4280493882 created "2022-05-22" @default.
- W4280493882 creator A5033063929 @default.
- W4280493882 creator A5054152314 @default.
- W4280493882 creator A5091569743 @default.
- W4280493882 date "2022-05-20" @default.
- W4280493882 modified "2023-10-14" @default.
- W4280493882 title "In Search of Synergistic Insect Repellents: Modeling of Muscarinic GPCR Interactions with Classical and Bitopic Photoactive Ligands" @default.
- W4280493882 cites W1501768464 @default.
- W4280493882 cites W1511334059 @default.
- W4280493882 cites W1833104430 @default.
- W4280493882 cites W1842503298 @default.
- W4280493882 cites W1967139989 @default.
- W4280493882 cites W1973333445 @default.
- W4280493882 cites W1982498753 @default.
- W4280493882 cites W1983534052 @default.
- W4280493882 cites W1986191025 @default.
- W4280493882 cites W1987755014 @default.
- W4280493882 cites W1990771438 @default.
- W4280493882 cites W2024187762 @default.
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- W4280493882 cites W2029667189 @default.
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- W4280493882 cites W2041791898 @default.
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- W4280493882 cites W2065929621 @default.
- W4280493882 cites W2067973462 @default.
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- W4280493882 cites W2104289996 @default.
- W4280493882 cites W2112170271 @default.
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- W4280493882 cites W2166225722 @default.
- W4280493882 cites W2178477699 @default.
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- W4280493882 cites W2810768392 @default.
- W4280493882 cites W2883207459 @default.
- W4280493882 cites W2885105600 @default.
- W4280493882 cites W2892113269 @default.
- W4280493882 cites W2893643290 @default.
- W4280493882 cites W2899070097 @default.
- W4280493882 cites W2940658020 @default.
- W4280493882 cites W2943019965 @default.
- W4280493882 cites W2943945272 @default.
- W4280493882 cites W2987740792 @default.
- W4280493882 cites W2996405687 @default.
- W4280493882 cites W3000498162 @default.
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- W4280493882 doi "https://doi.org/10.3390/molecules27103280" @default.
- W4280493882 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35630759" @default.
- W4280493882 hasPublicationYear "2022" @default.
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