Glucose transport via the pseudomonad porin OprB: implications for the design of Trojan Horse anti-infectives
Literature Information
Joan Coines, Silvia Acosta-Gutierrez, Igor Bodrenko
Deciphering the transport through outer-membrane porins is crucial to understand how anti-infectives enter Gram-negative bacteria and perform their function. Here we elucidated the transport mechanism of substrates through the Pseudomonads sugar-specific porin OprB by means of multiscale modeling. We used molecular dynamics simulations to quantify the energetics of transport and thus a diffusion model to quantify the macroscopic flux of molecules through OprB. Our results show that Trp171 and several glutamate residues in the constriction region are key for the transport of glucose, the preferred natural substrate, through OprB. The unveiled transport mechanism suggests that 2-acetamido-1,2-dideoxynojirimycin (DNJ-NAc), an anti-infective structurally similar to glucose, can enter the cell via OprB. We quantified its energetics and macroscopic flux through OprB providing a comparative analysis with the natural substrate. Thus this pore can be considered as a promising gateway for exploiting the Trojan Horse strategy in pathogenic bacteria.
Related Literature
Exploration of the pentacyano-cyclo-pentadienide ion, C5(CN)5−, as a weakly coordinating anion and potential superacid conjugate base. Silylation and protonation
Christopher Richardson, Christopher A. Reed
DOI: 10.1039/B316122F
Preparation and electrochemical behaviour of hydrophobic vitamin B12 covalently immobilized onto platinum electrode
Hisashi Shimakoshi, Mami Tokunaga, Keita Kuroiwa, Nobuo Kimizuka, Yoshio Hisaeda
DOI: 10.1039/B309457J
Two contrasting ethynyl hydroboration pathways in the formation of a novel tris-hydroboration product from reaction of dimesitylborane with 2,5-diethynylpyridine
Christopher D. Entwistle, Andrei S. Batsanov, Judith A. K. Howard, Mark A. Fox, Todd B. Marder
DOI: 10.1039/B316250H
Mixed halo/hydroxy carborane anions: thermally stable platforms for hydronium ion isolation
Daniel J. Stasko, Kevin J. Perzynski, Mark A. Wasil
DOI: 10.1039/B314475E
A template-free aqueous route to ZnO nanorod arrays with high optical property
Qun Tang, Wenjia Zhou, Jianmin Shen, Wu Zhang, Lingfen Kong
DOI: 10.1039/B313387G
Controlled functionalization of gold nanoparticles through a solid phase synthesis approach
James G. Worden, Andrew W. Shaffer, Qun Huo
DOI: 10.1039/B312819A
First three examples of taxane-derived di-propellanes in Taxus canadensis needles
Qing Wen Shi, Françoise Sauriol, Alain Lesimple, Lolita O. Zamir
DOI: 10.1039/B316051C
Rational design of porous titanophosphates
Christian Serre, Francis Taulelle, Gérard Ferey
DOI: 10.1039/B304703B
Selective 1,3-complexation of p-tBu-calix[4]arene by [TiCp2Me2]
Colin L. Raston
DOI: 10.1039/B309455C
Preparation of chiral triarylphosphines by Pd-catalysed asymmetric P–C cross-coupling
Christian Korff, Günter Helmchen
DOI: 10.1039/B315009G
You might also like
What are the main uses of 1H-Indazole-6-carbonitrile (CAS: 141290-59-7)?
1H-Indazole-6-carbonitrile finds applications in pharmaceuticals, where it serve...
How should waste containing Dioctyl (2E)-2-butenedioate (CAS: 2997-85-5) be handled?
Waste containing Dioctyl (2E)-2-butenedioate (CAS: 2997-85-5) should be collecte...
What industries use Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide (CAS: 68291-98-5)?
Sodium [(1,2-benzoxazol-3-ylmethyl)sulfonyl]azanide is primarily used in pharmac...
Are there alternatives to Dimethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-pyridinedicarboxylate (CAS: 741709-66-0) in synthesis?
Dimethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,6-pyridinedicarboxyla...
How should waste containing 2-Fluoro-6-hydrazinopyridine (CAS: 80714-39-2) be handled?
Waste containing 2-Fluoro-6-hydrazinopyridine (CAS: 80714-39-2) should be manage...
What is 6-Formyl-2-pyridinecarboxylic acid (CAS: 499214-11-8)?
6-Formyl-2-pyridinecarboxylic acid is an organic compound with the molecular for...
What is the market or research trend for 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CAS: 900874-91-1)?
Research trends for this compound indicate a focus on its potential applications...
How is 9H-Tribenzo[b,d,f]azepine (CAS: 29875-73-8) typically synthesized?
9H-Tribenzo[b,d,f]azepine is typically synthesized via a multi-step process invo...
How is 1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS: 1797982-51-4) typically synthesized?
1-Cyclopropyl-7-ethoxy-6-fluoro-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarboxyli...
How should waste containing Methyl 3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylate (CAS: 671820-52-3) be handled?
Waste containing Methyl 3-oxo-1,2,3,4-tetrahydro-6-quinoxalinecarboxylate (CAS: ...
Source Journal
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.











![(3aS,6aS)-1-Methyloctahydropyrrolo[3,4-b]pyrrole structure (3aS,6aS)-1-Methyloctahydropyrrolo[3,4-b]pyrrole structure](https://static.chemtradehub.com/structs/877/877212-98-1-9157.webp)


