Exploration of novel imidazo[4,5-b]indoles scaffolds as multi target peroxidase, acetylcholinesterase, and butyrylchloinesterase inhibitors: synthesis, spectral analysis, and molecular docking studies
Bibliographic record
Abstract
We herein report the design, synthesis, and biological activities of substituted imidazo[4,5-b] indoles 5(a–f) as a powerful antioxidant and anti-Alzheimer’s disease activity. The synthesized molecules were characterized using spectroscopic techniques, including infrared spectroscopy, nuclear magnetic resonance (1H and13C), mass spectrometry, and elemental analysis. The predictions regarding drug-likeness and toxicity, including favorable bioavailability of all the synthesized compounds, were disclosed. Furthermore, these newly synthesized compounds 5(a–f) demonstrated excellent inhibitory potential against peroxidase, acetylcholinesterase (AChE), and butyrylcholinesterase (BChE). Among the compounds, compound 5f showed excellent inhibitory activity with IC50 values of 08.52 ± 0.32 μM, 05.29 ± 0.09 μM, and 08.28 ± 0.10 μM against peroxidase, AChE, and BChE, respectively. Finally, the compounds described above were subjected to in silico molecular modeling against cytochrome c peroxidase (PDB ID: 2X08), AChE (PDB ID: 7E3H), and BChE (PDB ID: 4BDS). The compounds exhibited excellent binding interactions with all the proteins synthesized above.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| 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) | 0.001 | 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 source (direct Gemma or distilled Codex), 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".