Crystal structure of 1-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)-3,5-diphenyl-1H-pyrazole and molecular docking studies of 1-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)-3,5-diphenyl-1H-pyrazole and 5-methyl-1-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)-3-phenyl-1H-pyrazole towards tyrosine kinases

Kayed Abu-Safieh,Musa I. El-Barghouthi,Monther A. Khanfar,Bader A. Salameh,Islam S. Al-Aqrabawi,Baker Jawabrah Al Hourani,Basem F. Ali

Journal of Molecular Structure（2021）

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摘要

•Crystal structure and molecular structure of 1-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)-3,5-diphenyl-1H-pyrazole.•3D framework structure.•C–H···O and C–H···N interactions and crystal packing.•Molecular docking studies towards tyrosine kinases.•Strong interactions between substituted pyrazole ring and the studied proteins.

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关键词

Pyrazole,Bipyrazole,Crystal structure,Hydrogen bonding,Supramolecular structure,Molecular docking

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