Thiocolchicine squarate esters and squaramides: synthesis, crystal structure, antiproliferative activity and molecular docking
Bibliographic record
Abstract
Colchicine derivatives have been of considerable interest in medical science because of potent anticancer properties of this natural alkaloid, however, their syntheses still remain a challenge. These anticancer properties stem from the binding of colchicine and its derivatives to the colchicine binding site (CBS) in tubulin, thereby inhibiting microtubule dynamics and disrupting cancer cell division. In this paper, we present syntheses of a series of novel thiocolchicine derivatives, in which the amide group has been replaced by squarate ester and squaramide moiety. To better understand the structures of the obtained compounds, detailed X–ray analysis was performed. Additionally, their activities against four cancer cell lines were evaluated. The results demonstrated that the colchicine derivatives exhibited better selectivity indexes than those of the commonly used anticancer drugs. For more detailed interpretation of the in vitro findings, molecular docking studies were performed to assess the type and strength binding of the synthesized compounds to different tubulin subtypes.
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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) | 0.001 | 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 | 0.001 |
| 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".