Synthesis and Biological Evaluation of 1,3,5‐Trisubstituted 2‐Pyrazolines as Novel Cyclooxygenase‐2 Inhibitors with Antiproliferative Activity
Bibliographic record
Abstract
Abstract A new series of 1,3,5‐trisubstituted 2‐pyrazolines for the inhibition of cyclooxygenase‐2 (COX‐2) were synthesized. The designed structures include a COX‐2 pharmacophore SO 2 CH 3 at the para ‐position of the phenyl ring located at C‐5 of a pyrazoline scaffold. The synthesized compounds were tested for in vitro COX‐1/COX‐2 inhibition and cell toxicity against human colorectal adenocarcinoma cell lines HT‐29. The lead compound (4‐chlorophenyl){5‐[4‐(methanesulfonyl)phenyl]‐3‐phenyl‐4,5‐dihydro‐1 H ‐pyrazol‐1‐yl}methanone ( 16 ) showed significant COX‐2 inhibition (IC 50 =0.05±0.01 μM), and antiproliferative activity (IC 50 =5.46±4.71 μM). Molecular docking studies showed that new pyrazoline‐based compounds interact via multiple hydrophobic and hydrogen‐bond interactions with key binding site residues of the COX‐2 enzyme.
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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 | 0.001 |
| 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".