Diacylhydrazine Derivatives of 2-(5-(Pyridin-3-yl)-2H-Tetrazol-2-yl)Acetohydrazide and 2-(5-(Pyridin-4-yl)-2H-Tetrazol-2-yl)Acetohydrazide as Potential Inhibitors of Nucleotide Pyrophosphatase
Bibliographic record
Abstract
Abstract Nucleotide Pyrophosphatases (NPPs) i.e. NPP1 and 3 are responsible for maintaining the extracellular level of nucleotides and nucleosides and are also involve in the regulation of nucleotide-based intercellular signaling. The overexpression of these isozymes resulted in various pathological disorders including osteoarthritis, type 2 diabetes, calcification, allergies, neurodegenerative diseases and carcinogenesis. Recently, NPP1 and NPP3 inhibitors attracted attention due to their ability to enhance the efficacy of cancer therapeutics. Therefore, we designed and synthesized two new series of diacylhydrazine derivatives as potential NPP inhibitors. Among all synthesized derivatives, the diacylhydrazine derivatives of 2-(5-(pyridin-3-yl)-2H-tetrazol-2-yl) acetohydrazide exhibited higher inhibitory values. The structures of these derivatives were confirmed by FTIR, 1H NMR, 13C NMR and elemental analyses. Moreover, homology modelling and molecular docking studies of both inhibitors were also carried out to suggest their putative binding mode within respective enzymes i.e., h-NPP1 and h-NPP3.
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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 | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.001 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.001 | 0.001 |
| Research integrity | 0.000 | 0.001 |
| 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".