Synthesis and Docking Study of some novel compounds containing naphthol-2-ol skeleton

Document Type : Original Article

Authors

1 NRC_Photochemistry

2 national research centre

3 Applied Organic Chemistry Department, Chemical Industrial Institute, National Research Centre, Dokki 12622, Giza, Egypt.

Abstract

Naphthols one of the most important categories of chemical compounds that are found in chemical and natural products and has notable biological activity. In this manuscript the naphthol skeleton has been employed as a key material for biosynthesis compounds. Ethyl 2-(naphthalen-2-yloxy) acetate with hydrazine hydrate which was used as starting material. The reaction of hydrazide 2 with different aldehydes to have compounds 3a-g, or ketones 5, 7, 8, and 9 or with acetylacetone to have pyrazole derivative 6. On the other hand, compounds 4a-d,4g were synthesized using two different ways. All the synthesized compounds are processed as anticancer and were confirmed using different chemical analyses such as IR, 1H & 13C NMR, and MALDI Mass. Molecular docking studies against HDACs-2 exhibited binding energy ranging from -10.08 to -9.08 kcal/mol. The co-crystallized ligand complexed with HDACs-2 (pdb code: 4LY1) exhibited an affinity score of -9.75 kcal/mol.

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