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383202

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

Article

Last updated: 01 Jan 2025

Subjects

-

Tags

Organic chemistry

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.

DOI

10.21608/ejchem.2024.308452.10105

Keywords

2-Naphthols, Oxadiazoles, Pyrazoles, Anticancer, Acetyl-hydrazide derivatives, Molecular Docking Studies

Authors

First Name

Reham

Last Name

Khattab

MiddleName

-

Affiliation

NRC_Photochemistry

Email

rerybadr@gmail.com

City

-

Orcid

-

First Name

dina

Last Name

Ali

MiddleName

-

Affiliation

national research centre

Email

dinarayan2007@gmail.com

City

-

Orcid

-

First Name

Manar

Last Name

Elasasy

MiddleName

-

Affiliation

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

Email

manarelsaid511@gmail.com

City

-

Orcid

-

Volume

67

Article Issue

11

Related Issue

50157

Issue Date

2024-11-01

Receive Date

2024-07-30

Publish Date

2024-11-01

Page Start

333

Page End

343

Print ISSN

0449-2285

Online ISSN

2357-0245

Link

https://ejchem.journals.ekb.eg/article_383202.html

Detail API

https://ejchem.journals.ekb.eg/service?article_code=383202

Order

383,202

Type

Original Article

Type Code

297

Publication Type

Journal

Publication Title

Egyptian Journal of Chemistry

Publication Link

https://ejchem.journals.ekb.eg/

MainTitle

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

Details

Type

Article

Created At

30 Dec 2024