Functional Characterization and NMR Spectroscopy on Full-Length Vpu from HIV-1 Prepared by Total Chemical Synthesis

Control of pore window size is the standard approach for tuning gas selectivity in porous solids. Here, we present the first example where this is translated into a molecular porous liquid formed from organic cage molecules. Reduction of the cage window size by chemical synthesis switches the selectivity from Xe-selective to CH4-selective, which is understood using 129Xe, 1H, and pulsed-field gradient NMR spectroscopy.

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Controlling Gas Selectivity in Molecular Porous Liquids by Tuning the Cage Window Size

10.26434/chemrxiv.10247528 ◽

2019 ◽

Author(s):

Benjamin Egleston ◽

Konstantin V. Luzyanin ◽

Michael C. Brand ◽

Rob Clowes ◽

Michael E. Briggs ◽

...

Keyword(s):

Nmr Spectroscopy ◽

Chemical Synthesis ◽

Field Gradient ◽

Window Size ◽

Standard Approach ◽

Porous Solids ◽

Pulsed Field Gradient Nmr ◽

Pulsed Field ◽

Cage Molecules ◽

Gas Selectivity

Control of pore window size is the standard approach for tuning gas selectivity in porous solids. Here, we present the first example where this is translated into a molecular porous liquid formed from organic cage molecules. Reduction of the cage window size by chemical synthesis switches the selectivity from Xe-selective to CH4-selective, which is understood using 129Xe, 1H, and pulsed-field gradient NMR spectroscopy.

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Faculty Opinions recommendation of Domain-domain interactions in full-length p53 and a specific DNA complex probed by methyl NMR spectroscopy.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.717964305.793465848 ◽

2012 ◽

Author(s):

Gottfried Otting

Keyword(s):

Nmr Spectroscopy ◽

Full Length ◽

Domain Interactions ◽

Dna Complex

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Molecular Docking, Synthesis and anti-HIV-1 Protease Activity of Novel Chalcones

Current Pharmaceutical Design ◽

10.2174/1381612826666200203125557 ◽

2020 ◽

Vol 26 (8) ◽

pp. 802-814 ◽

Cited By ~ 3

Author(s):

Nemanja Turkovic ◽

Branka Ivkovic ◽

Jelena Kotur-Stevuljevic ◽

Milica Tasic ◽

Bojan Marković ◽

...

Keyword(s):

Molecular Weight ◽

Molecular Docking ◽

Chemical Synthesis ◽

Protease Activity ◽

Molecular Mechanisms ◽

Replication Cycle ◽

Low Molecular Weight ◽

Chalcone Derivatives ◽

Anti Hiv ◽

Hiv 1

Background: Since the beginning of the HIV/AIDS epidemic, 75 million people have been infected with the HIV and about 32 million people have died of AIDS. Investigation of the molecular mechanisms critical to the HIV replication cycle led to the identification of potential drug targets for AIDS therapy. One of the most important discoveries is HIV-1 protease, an enzyme that plays an essential role in the replication cycle of HIV. Objective: The aim of the present study is to synthesize and investigate anti-HIV-1 protease activity of some chalcone derivatives with the hope of discovering new lead structure devoid drug resistance. Methods: 20 structurally similar chalcone derivatives were synthesized and their physico-chemical characterization was performed. Binding of chalcones to HIV-1 protease was investigated by fluorimetric assay. Molecular docking studies were conducted to understand the interactions. Results: The obtained results revealed that all compounds showed anti-HIV-1 protease activity. Compound C1 showed the highest inhibitory activity with an IC50 value of 0.001 μM, which is comparable with commercial product Darunavir. Conclusion: It is difficult to provide general principles of inhibitor design. Structural properties of the compounds are not the only consideration; ease of chemical synthesis, low molecular weight, bioavailability, and stability are also of crucial importance. Compared to commercial products the main advantage of compound C1 is the ease of chemical synthesis and low molecular weight. Furthermore, compound C1 has a structure that is different to peptidomimetics, which could contribute to its stability and bioavailability.

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Convergent Chemical Synthesis and Crystal Structure of a 203 Amino Acid “Covalent Dimer” HIV-1 Protease Enzyme Molecule

Angewandte Chemie International Edition ◽

10.1002/anie.200604087 ◽

2007 ◽

Vol 46 (10) ◽

pp. 1667-1670 ◽

Cited By ~ 139

Author(s):

Vladimir Yu. Torbeev ◽

Stephen B. H. Kent

Keyword(s):

Crystal Structure ◽

Amino Acid ◽

Chemical Synthesis ◽

Enzyme Molecule ◽

Synthesis And Crystal Structure ◽

Protease Enzyme ◽

Covalent Dimer ◽

Hiv 1

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Functional characterization of a full length pregnane X receptor, expression in vivo, and identification of PXR alleles, in Zebrafish (Danio rerio)

Aquatic Toxicology ◽

10.1016/j.aquatox.2013.09.014 ◽

2013 ◽

Vol 142-143 ◽

pp. 447-457 ◽

Cited By ~ 30

Author(s):

Afonso C.D. Bainy ◽

Akira Kubota ◽

Jared V. Goldstone ◽

Roger Lille-Langøy ◽

Sibel I. Karchner ◽

...

Keyword(s):

Danio Rerio ◽

Functional Characterization ◽

Pregnane X Receptor ◽

Full Length ◽

Receptor Expression

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Radical Dehalogenation and Purine Nucleoside Phosphorylase E. coli: How Does an Admixture of 2′,3′-Anhydroinosine Hinder 2-fluoro-cordycepin Synthesis

Biomolecules ◽

10.3390/biom11040539 ◽

2021 ◽

Vol 11 (4) ◽

pp. 539

Author(s):

Alexey L. Kayushin ◽

Julia A. Tokunova ◽

Ilja V. Fateev ◽

Alexandra O. Arnautova ◽

Maria Ya. Berzina ◽

...

Keyword(s):

Nmr Spectroscopy ◽

Chemical Synthesis ◽

Purine Nucleoside Phosphorylase ◽

Purine Nucleoside ◽

Preparative Synthesis ◽

Nucleoside Phosphorylase ◽

E Coli ◽

First Time

During the preparative synthesis of 2-fluorocordycepin from 2-fluoroadenosine and 3′-deoxyinosine catalyzed by E. coli purine nucleoside phosphorylase, a slowdown of the reaction and decrease of yield down to 5% were encountered. An unknown nucleoside was found in the reaction mixture and its structure was established. This nucleoside is formed from the admixture of 2′,3′-anhydroinosine, a byproduct in the preparation of 3-′deoxyinosine. Moreover, 2′,3′-anhydroinosine forms during radical dehalogenation of 9-(2′,5′-di-O-acetyl-3′-bromo- -3′-deoxyxylofuranosyl)hypoxanthine, a precursor of 3′-deoxyinosine in chemical synthesis. The products of 2′,3′-anhydroinosine hydrolysis inhibit the formation of 1-phospho-3-deoxyribose during the synthesis of 2-fluorocordycepin. The progress of 2′,3′-anhydroinosine hydrolysis was investigated. The reactions were performed in D2O instead of H2O; this allowed accumulating intermediate substances in sufficient quantities. Two intermediates were isolated and their structures were confirmed by mass and NMR spectroscopy. A mechanism of 2′,3′-anhydroinosine hydrolysis in D2O is fully determined for the first time.

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