article · New Journal of Chemistry

Molecular docking and computational assessment of spectroscopic analysis of ethyl 3-(4-chloro-2-methylphenylamino)-3-phenylacrylate as a potential antibacterial agent

Wissam Habibi
Mohamed A. Said
Mostafà Khouili
Marwa Alaqarbeh
Bushra Shakoor
Mohamed Chellegui
Abdessamad Tounsi
Saadia Ouizat
Haydar Mohammad‐Salim
Mohamed Anouar Harrad

20251 citationUniversité Sultan Moulay Slimane

Abstract

A novel enamino ester was synthesized and studied via DFT. NMR, MEP, Fukui, and docking show its stability, reactivity, and antibacterial potential. ADME-Tox predicts good pharmacokinetics and low toxicity, supporting drug development.

Research topics

Synthesis and biological activity
Organic Chemistry Cycloaddition Reactions
Synthesis of heterocyclic compounds

Sustainable Development Goals

3Good Health and Well-being

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DOI: 10.1039/d5nj01851j

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