S. Saouane
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View article: CCDC 2232043: Experimental Crystal Structure Determination
CCDC 2232043: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2232042: Experimental Crystal Structure Determination
CCDC 2232042: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2232044: Experimental Crystal Structure Determination
CCDC 2232044: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: The polymorph landscape of dabigatran etexilate mesylate: Taking the challenge to bring a metastable polymorph to market
The polymorph landscape of dabigatran etexilate mesylate: Taking the challenge to bring a metastable polymorph to market Open
Dabigatran etexilate mesylate is polymorphic and can exist in different crystalline forms. Two polymorphs have been encountered during the development of this drug substance, namely anhydrous form I and anhydrous form II. Additionally, a h…
View article: Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease
Antiviral activity of natural phenolic compounds in complex at an allosteric site of SARS-CoV-2 papain-like protease Open
SARS-CoV-2 papain-like protease (PLpro) covers multiple functions. Beside the cysteine-protease activity, facilitating cleavage of the viral polypeptide chain, PLpro has the additional and vital function of removing ubiquitin and ISG15 (In…
View article: SARS-CoV-2 papain-like protease PLpro in complex with natural compounds reveal allosteric sites for antiviral drug design
SARS-CoV-2 papain-like protease PLpro in complex with natural compounds reveal allosteric sites for antiviral drug design Open
SARS-CoV-2 papain-like protease (PLpro) covers multiple functions. Beside the cysteine-protease activity, PLpro has the additional and vital function of removing ubiquitin and ISG15 (Interferon-stimulated gene 15) from host-cell proteins t…
View article: X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease
X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease Open
A large-scale screen to target SARS-CoV-2 The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) genome is initially expressed as two large polyproteins. Its main protease, M pro , is essential to yield functional viral proteins,…
View article: Inhibition of SARS-CoV-2 main protease by allosteric drug-binding
Inhibition of SARS-CoV-2 main protease by allosteric drug-binding Open
The coronavirus disease (COVID-19) caused by SARS-CoV-2 is creating tremendous health problems and economical challenges for mankind. To date, no effective drug is available to directly treat the disease and prevent virus spreading. In a s…
View article: A Comparative Analysis on LaueUtil and PRECOGNITION Software Packages as Tools in Treating the Small Molecule Time-Resolved Laue Diffraction Measurements at High Flux X-ray facilities
A Comparative Analysis on LaueUtil and PRECOGNITION Software Packages as Tools in Treating the Small Molecule Time-Resolved Laue Diffraction Measurements at High Flux X-ray facilities Open
Investigating metal organic systems with time-resolved photocrystallography poses a unique challenge while interpreting the time dependent photodifference maps. In these difference Fourier maps, the signals correspond to the movement of he…
View article: Catalytic cleavage of HEAT and subsequent covalent binding of the tetralone moiety by the SARS-CoV-2 main protease
Catalytic cleavage of HEAT and subsequent covalent binding of the tetralone moiety by the SARS-CoV-2 main protease Open
Here we present the crystal structure of SARS-CoV-2 main protease (M pro ) covalently bound to 2-methyl-1-tetralone. This complex was obtained by co-crystallization of M pro with HEAT (2-(((4-hydroxyphenethyl)amino)methyl)-3,4-dihydronapht…
View article: CCDC 1437065: Experimental Crystal Structure Determination
CCDC 1437065: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1437067: Experimental Crystal Structure Determination
CCDC 1437067: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1437066: Experimental Crystal Structure Determination
CCDC 1437066: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1437064: Experimental Crystal Structure Determination
CCDC 1437064: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1437068: Experimental Crystal Structure Determination
CCDC 1437068: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1437063: Experimental Crystal Structure Determination
CCDC 1437063: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1437070: Experimental Crystal Structure Determination
CCDC 1437070: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 1437069: Experimental Crystal Structure Determination
CCDC 1437069: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Extending the Search Space for Novel Physical Forms of Pharmaceuticals and Biomolecules using High-Pressure Techniques
Extending the Search Space for Novel Physical Forms of Pharmaceuticals and Biomolecules using High-Pressure Techniques Open
This thesis, which is divided into two parts, describes the use of non-ambient crystallisation techniques, in particular high-pressure, to explore on one hand inclusion complex formation of cyclodextrins with drug molecules (part 1), and o…