Synthesis, Characterization, and Biological Evaluations of Eugenol–Amide Hybrids as Promising Antimicrobial Agents: Experimental and Computational Approaches
Bibliographic record
Abstract
ABSTRACT Eugenol‐derived compounds have recently garnered significant attention in medicinal chemistry as a novel class of agents with potential as drug candidates for diverse therapeutic applications. This study aims to synthesize novel eugenol–amide hybrids and evaluate their antimicrobial response against various pathogenic fungal ( Candida albicans ATCC 10231) and bacterial strains ( Escherichia coli ATCC 25922, Pseudomonas aeruginosa CIP A22, Staphylococcus aureus ATCC 25923). The synthesized hybrids were thoroughly characterized using infrared spectroscopy, 1 H/ 13 C nuclear magnetic resonance (NMR), and mass spectrometry. Results reveal that compounds 4c , 4k , and 4n exhibit moderate antibacterial activity, with minimum inhibitory concentration (MIC) values spanning 3.9–31.25 µg/mL. Compounds 4c and 4k showed the most potent antifungal activity against C. albicans (MIC value of 3.9 µg/mL), surpassing that of fluconazole (MIC value of 7.8 µg/mL), whereas derivatives 4e , 4f , 4i , and 4j exhibited significant antifungal effects ( p < 0.05) comparable to fluconazole. In silico analysis indicates that most derivatives possess favorable predicted pharmacokinetic properties and low toxicity. Furthermore, molecular docking studies revealed enhanced binding free energy scores for the top compounds, whereas molecular dynamics simulations were performed to evaluate the stability of the resulting protein–ligand complexes.
Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.
How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".