Evaluation of Methylthio-, Methylsulfinyl-, and Methylsulfonyl-Analogs of Alkanes and Alkanoic Acids as Cardiac Inotropic and Antifungal Agents
Why this work is in the frame
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Bibliographic record
Abstract
A group of alkane and alkanoic acid compounds of general formula MeS(O)m(CH2)nR [m = 0 — 2; n = 1, 5, 13; R = Me, CO2H(Na)] were synthesized for evaluation as cardiac inotropic and antifungal agents. Inotropic activity was determined as the ability of the test compound to modulate in vitro guinea pig atrium contractility. The oxidation state of the S-atom was an important determinant of inotropic modulation since the thio (m = 0) analogs exhibited a positive inotropic effect. In contrast, the sulfinyl (m = 1) and sulfonyl (m = 2) analogs exhibited a negative inotropic effect. A pentyl spacer (n = 5) provided the largest positive or negative inotropic effect. The relative positive, and negative, inotropic potency orders with respect to the R-substituent were Me ≥ CO2H, and CO2Na ≥ Me, respectively. The most potent positive inotrope MeS(CH2)5Me (EC50 = 4.49 × 10 -6 M) could serve as a useful lead-compound for the design of a new class of positive inotropic agents. In a broad spectrum antifungal screen, the minimal inhibitory concentration (MIC) range for the five most active compounds was MeSO2(CH2)5Me (0.46—1.83 mM), MeS(CH2)13Me (0.31—1.23 mM), MeSO(CH2)13Me (< 0.009—1.87 mM), MeSO2(CH2)13Me (0.27—1.09 mM), and MeS(CH2)13CO2H (0.27—1.09 mM), relative to the reference drug Ampotericin B (< 0.0002—0.002 mM). The most active antifungal agent MeSO(CH2)13Me was selective against C. guillermondi, C. neo-formans, S. cerevisiae, and A. fumigatus (strain TIMM 1776).
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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) | 0.000 | 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 it