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This is a In Vitro Study study.

August 17, 2025New 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

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The compound ethyl 3-(4-chloro-2-methylphenylamino)-3-phenylacrylate demonstrates promising antibacterial potential and stability.
Analysis showed effective pharmacokinetics and low toxicity, supporting further development as a drug.
Molecular docking and computational assessments were performed using DFT, NMR, and MEP techniques to evaluate reactivity.
Predictive ADME-Tox modeling indicates favorable properties, implying strong candidates for antimicrobial treatments.

Implication

Molecular docking predicts antibacterial activity of a new compound, suggesting its potential for drug development.

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.

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Cite This Study

Habibi et al. (2025) studied this question.

synapsesocial.com/papers/68a36f840a429f79733320af https://doi.org/10.1039/d5nj01851j

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Implication

Molecular docking predicts antibacterial activity of a new compound, suggesting its potential for drug development.

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

Key Points

Implication

Abstract

Discussion

Cite This Study

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

Key Points

Implication

Abstract

Discussion

Cite This Study

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