FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2898610403> ?p ?o ?g. }

• W2898610403 endingPage "74" @default.
• W2898610403 startingPage "62" @default.
• W2898610403 abstract "Understanding the molecular determinants for recognition, binding and transport of antibiotics by multidrug efflux systems is important for basic research and useful for the design of more effective antimicrobial compounds. Imipenem and meropenem are two carbapenems whose antibacterial activity is known to be poorly and strongly affected by MexAB-OprM, the major efflux pump transporter in Pseudomonas aeruginosa. However, not much is known regarding recognition and transport of these compounds by AcrAB-TolC, which is the MexAB-OprM homologue in Escherichia coli and by definition the paradigm model for structural studies on efflux pumps. Prompted by this motivation, we unveiled the molecular details of the interaction of imipenem and meropenem with the transporter AcrB by combining computer simulations with biophysical experiments. Regarding the interaction with the two main substrate binding regions of AcrB, the so-called access and deep binding pockets, molecular dynamics simulations revealed imipenem to be more mobile than meropenem in the former, while comparable mobilities were observed in the latter. This result is in line with isothermal titration calorimetry, differential scanning experiments, and binding free energy calculations, indicating a higher affinity for meropenem than imipenem at the deep binding pocket, while both sharing similar affinities at the access pocket. Our findings rationalize how different physico-chemical properties of compounds reflect on their interactions with AcrB. As such, they constitute precious information to be exploited for the rational design of antibiotics able to evade efflux pumps." @default.
• W2898610403 created "2018-11-02" @default.
• W2898610403 creator A5000189011 @default.
• W2898610403 creator A5002694249 @default.
• W2898610403 creator A5009896900 @default.
• W2898610403 creator A5030274286 @default.
• W2898610403 creator A5033296720 @default.
• W2898610403 creator A5059598818 @default.
• W2898610403 creator A5087340766 @default.
• W2898610403 date "2019-01-01" @default.
• W2898610403 modified "2023-09-27" @default.
• W2898610403 title "Identification and characterization of carbapenem binding sites within the RND-transporter AcrB" @default.
• W2898610403 cites W1502262495 @default.
• W2898610403 cites W1512490310 @default.
• W2898610403 cites W1618462379 @default.
• W2898610403 cites W1968140197 @default.
• W2898610403 cites W1969441814 @default.
• W2898610403 cites W1975580333 @default.
• W2898610403 cites W1976499671 @default.
• W2898610403 cites W1985400607 @default.
• W2898610403 cites W1988149100 @default.
• W2898610403 cites W1993793665 @default.
• W2898610403 cites W1999979510 @default.
• W2898610403 cites W2000106654 @default.
• W2898610403 cites W2009089119 @default.
• W2898610403 cites W2010438788 @default.
• W2898610403 cites W2021520922 @default.
• W2898610403 cites W2026073246 @default.
• W2898610403 cites W2035266068 @default.
• W2898610403 cites W2049862828 @default.
• W2898610403 cites W2054248955 @default.
• W2898610403 cites W2057418340 @default.
• W2898610403 cites W2065827250 @default.
• W2898610403 cites W2065892292 @default.
• W2898610403 cites W2067174909 @default.
• W2898610403 cites W2070624826 @default.
• W2898610403 cites W2071083537 @default.
• W2898610403 cites W2076469336 @default.
• W2898610403 cites W2081411678 @default.
• W2898610403 cites W2084778413 @default.
• W2898610403 cites W2086941118 @default.
• W2898610403 cites W2104566326 @default.
• W2898610403 cites W2107250776 @default.
• W2898610403 cites W2112586763 @default.
• W2898610403 cites W2120998583 @default.
• W2898610403 cites W2123677996 @default.
• W2898610403 cites W2126162335 @default.
• W2898610403 cites W2128824543 @default.
• W2898610403 cites W2132019100 @default.
• W2898610403 cites W2132067013 @default.
• W2898610403 cites W2132501554 @default.
• W2898610403 cites W2135676217 @default.
• W2898610403 cites W2136723682 @default.
• W2898610403 cites W2140831051 @default.
• W2898610403 cites W2144178695 @default.
• W2898610403 cites W2145275398 @default.
• W2898610403 cites W2153601116 @default.
• W2898610403 cites W2157664391 @default.
• W2898610403 cites W2159913597 @default.
• W2898610403 cites W2166576226 @default.
• W2898610403 cites W2168929754 @default.
• W2898610403 cites W2274004837 @default.
• W2898610403 cites W2275283872 @default.
• W2898610403 cites W2298100294 @default.
• W2898610403 cites W2323104785 @default.
• W2898610403 cites W2343105778 @default.
• W2898610403 cites W2398424531 @default.
• W2898610403 cites W2404280981 @default.
• W2898610403 cites W2461895236 @default.
• W2898610403 cites W2528034864 @default.
• W2898610403 cites W2566037451 @default.
• W2898610403 cites W2588176550 @default.
• W2898610403 cites W2742388450 @default.
• W2898610403 cites W2743848994 @default.
• W2898610403 cites W2749240848 @default.
• W2898610403 cites W2766155960 @default.
• W2898610403 cites W2767504532 @default.
• W2898610403 cites W2768771059 @default.
• W2898610403 cites W2769899821 @default.
• W2898610403 cites W2770981023 @default.
• W2898610403 cites W2791030868 @default.
• W2898610403 cites W2791375569 @default.
• W2898610403 cites W2792651147 @default.
• W2898610403 cites W2793580776 @default.
• W2898610403 cites W2806894088 @default.
• W2898610403 cites W2951093043 @default.
• W2898610403 doi "https://doi.org/10.1016/j.bbamem.2018.10.012" @default.
• W2898610403 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30416087" @default.
• W2898610403 hasPublicationYear "2019" @default.
• W2898610403 type Work @default.
• W2898610403 sameAs 2898610403 @default.
• W2898610403 citedByCount "18" @default.
• W2898610403 countsByYear W28986104032019 @default.
• W2898610403 countsByYear W28986104032020 @default.
• W2898610403 countsByYear W28986104032021 @default.
• W2898610403 countsByYear W28986104032023 @default.
• W2898610403 crossrefType "journal-article" @default.
• W2898610403 hasAuthorship W2898610403A5000189011 @default.

• next