Structure-Based Design of Highly Selective β-Secretase Inhibitors: Synthesis, Biological Evaluation, and Protein–Ligand X-ray Crystal Structure

This article reviews studies regarding the total synthesis of phaeosphaerides A and B, nitrogen-containing bicyclic natural products isolated from an endophytic fungus. Numerous synthetic efforts and an X-ray crystal structure analysis of phaeosphaeride A have enabled revision of its originally proposed structure. In addition, a successful protic acid-mediated transformation of phaeosphaeride A to phaeosphaeride B revealed the hypothetical biosynthesis of phaeosphaeride B from phaeosphaeride A. Structure–activity relationship studies of phaeosphaeride derivatives are also discussed.

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A novel Au(III) complex with the 5,5´ -dimethyl-2,2´-bipyridine ligand: Synthesis, characterization, X-ray crystal structure and biological evaluation

Polyhedron ◽

10.1016/j.poly.2021.115513 ◽

2021 ◽

pp. 115513

Author(s):

Tahere Kondori ◽

Habib Ghaznavi ◽

Fahimeh Afshari ◽

Sheida Shahraki ◽

Jafar Shahraki ◽

...

Keyword(s):

Crystal Structure ◽

Biological Evaluation ◽

X Ray ◽

Bipyridine Ligand ◽

Ligand Synthesis

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Synthesis, spectroscopic properties and biological evaluation of transition metal complexes of salicylhydrazone of anthranilhydrazide: X-ray crystal structure of copper complex

Inorganica Chimica Acta ◽

10.1016/j.ica.2011.11.063 ◽

2012 ◽

Vol 384 ◽

pp. 197-203 ◽

Cited By ~ 14

Author(s):

Dayananda S. Badiger ◽

Rekha S. Hunoor ◽

Basavaraj R. Patil ◽

Ramesh S. Vadavi ◽

Chandrashekhar V. Mangannavar ◽

...

Keyword(s):

Crystal Structure ◽

Transition Metal ◽

Metal Complexes ◽

Transition Metal Complexes ◽

Copper Complex ◽

Spectroscopic Properties ◽

Biological Evaluation ◽

X Ray

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Poly(ADP-Ribose) Polymerase-1 (PARP-1) Inhibitors Based on a Tetrahydro-1(2H)-isoquinolinone Scaffold: Synthesis, Biological Evaluation and X-ray Crystal Structure

Synthesis ◽

10.1055/s-2005-865324 ◽

2005 ◽

pp. 1550-1554 ◽

Cited By ~ 5

Author(s):

Stefan Peukert ◽

Uwe Schwahn ◽

Stefan Güssregen ◽

Herman Schreuder ◽

Armin Hofmeister

Keyword(s):

Crystal Structure ◽

Biological Evaluation ◽

X Ray ◽

Parp 1

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Synthesis, Crystal Structure and Biological Evaluation of Novel 2-Phenylthiazole Derivatives as Butyrylcholinesterase Inhibitors

Journal of Chemical Research ◽

10.3184/174751918x15314837408346 ◽

2018 ◽

Vol 42 (7) ◽

pp. 366-370 ◽

Cited By ~ 1

Author(s):

Da-Hua Shi ◽

Xiao-Dong Ma ◽

Yu-Wei Liu ◽

Wei Min ◽

Fu-Jun Yin ◽

...

Keyword(s):

Crystal Structure ◽

Docking Study ◽

Biological Evaluation ◽

Hirshfeld Surface ◽

Inhibition Activity ◽

X Ray Diffraction ◽

Anionic Site ◽

Crystal Lattices ◽

X Ray ◽

Crystal Structure Formation

To find novel butyrylcholinesterase inhibitors, three novel 2-phenylthiazole derivatives were synthesised. The synthesised compounds were characterised by NMR and single-crystal X-ray diffraction analysis. Hirshfeld surface analysis and two-dimensional fingerprint plots of the compounds were used as a theoretical approach to assess the driving force for crystal structure formation via the intermolecular interactions in the crystal lattices of the synthesised compounds. Among the three compounds, N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro- 1H-pyrazol-4-yl)-2-(4-methoxyphenyl)thiazole-4-carboxamide showed the best butyrylcholinesterase-inhibition activity with an IC50 value of 75.12 μM. A docking study demonstrated that this compound interacts with the peripheral anionic site of butyrylcholinesterase.

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