Synthesis and Docking Study of some novel compounds containing naphthol-2-ol skeleton | ||||
| Egyptian Journal of Chemistry | ||||
| Volume 67, Issue 11, November 2024, Page 333-343 PDF (604.16 K) | ||||
| Document Type: Original Article | ||||
| DOI: 10.21608/ejchem.2024.308452.10105 | ||||
 View on SCiNiTO | ||||
| Authors | ||||
Reham Khattab  1; dina Ali2; Manar Elasasy3
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| 1NRC_Photochemistry | ||||
| 2national research centre | ||||
| 3Applied 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. | ||||
| Keywords | ||||
| 2-Naphthols; Oxadiazoles; pyrazoles; Anticancer; Acetyl-hydrazide derivatives; Molecular docking studies | ||||
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