Overcoming undesirable hERG affinity by incorporating fluorine atoms: A case of MAO-B inhibitors derived from 1 H-pyrrolo-[3,2-c]quinolines.
Sign Up to like & getrecommendations! Published in 2022 at "European journal of medicinal chemistry"
DOI: 10.1016/j.ejmech.2022.114329
Abstract: The incorporation of the fluorine motif is a strategy widely applied in drug design for modulating the activity, physicochemical parameters, and metabolic stability of chemical compounds. In this study, we attempted to reduce the affinity… read more here.
Keywords: mao inhibitors; mao; fluorine atoms; affinity ... See more keywords
Planar tetracoordinate fluorine atoms†
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DOI: 10.1039/d1sc01325d
Abstract: Among the list of planar tetracoordinate atoms, fluorine is missing. So far, there are no theoretical or experimental reports suggesting their existence. Herein, we introduce the first six combinations (FIn4+, FTl4+, FGaIn3+, FIn2Tl2+, FIn3Tl+, and… read more here.
Keywords: fluorine atoms; planar tetracoordinate; tetracoordinate fluorine;
How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?
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DOI: 10.1039/d3ce00327b
Abstract: A series of phenylenediamines containing the NO2 group and 3 to 0 fluorine atoms and 18-crown-6 ether were used to study the dependence of the stoichiometry and supramolecular structure of... read more here.
Keywords: fluorine atoms; combination nitro; group fluorine; nitro group ... See more keywords
Fluorine Atoms on C6H5-Corrole Affect the Interaction with Mpro and PLpro Proteases of SARS-CoV-2: Molecular Docking and 2D-QSAR Approaches
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms231810936
Abstract: The chymotrypsin-like cysteine protease (3CLpro, also known as main protease—Mpro) and papain-like protease (PLpro) of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) have been used as the main targets for screening potential synthetic inhibitors for… read more here.
Keywords: interaction mpro; aryl corrole; meso aryl; fluorine atoms ... See more keywords