Molecular docking and computational assessment of spectroscopic analysis of ethyl 3-(4-chloro-2-methylphenylamino)-3-phenylacrylate as a potential antibacterial agent
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.
Authors
- Haydar Mohammad‐Salim (ORCID: https://orcid.org/0000-0002-9600-3446)
- Mohamed A. Said (ORCID: https://orcid.org/0000-0002-7937-0084)
- Mostafà Khouili (ORCID: https://orcid.org/0000-0002-5858-5334)
- Mohamed Anouar Harrad (ORCID: https://orcid.org/0009-0000-0394-1533)
- Marwa Alaqarbeh (ORCID: https://orcid.org/0000-0002-0879-5077)
- Bushra Shakoor
- Mohamed Chellegui (ORCID: https://orcid.org/0009-0004-7818-8573)
- Abdessamad Tounsi
- Wissam Habibi
- Saadia Ouizat
Institutions
- Cadi Ayyad University (MA)
- University of Sfax (TN)
- Applied Science Private University (JO)
- University of Namur (BE)
- University of Zakho (IQ)
- Université Sultan Moulay Slimane (MA)
- Government College Women University Faisalabad (PK)
- Egyptian Russian University (EG)
Publication Details
- Journal
- New Journal of Chemistry
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5nj01851j
- Citations
- 1
- Primary Topic
- Synthesis and biological activity
- Type
- article
- Field-Weighted Citation Impact
- 0.94