Design and Synthesis of Metronidazole‐Based Photoswitches With Potential Biological Applications
Bibliographic record
Abstract
Abstract Photocontrol of the activity of biomolecules is a promising field to selectively target specific cells or tissues. Herein, we present a rational design of novel photoactive molecules which combine a metronidazole‐like moiety, responsible for the cytotoxic activity, and a photoswitchable unit. The proposed compounds stand out for their straightforward synthesis (two steps through a simple and versatile route), as well as their photochemical and thermal stability. These compounds are water soluble and their photoisomerization takes place with a high quantum yield. A computational study was performed to guide the design of this novel family, to fully characterize their structure and properties and to aid in the analysis of the experimental results. Moreover, the photoisomerized forms feature cytotoxicity in the micromolar range against human cancer cell lines, allowing a complete off/on photocontrol of the biological activity.
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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) | 0.001 | 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 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".