Identification of phytoconstituents from Houttuynia cordata Thunb. as dipeptidyl peptidase-IV and sodium glucose cotransporter 2 inhibitors guided by molecular docking
Bibliographic record
Abstract
Houttuynia cordata Thunb. is an edible medicinal herb belonging to the Saururaceae family. Although the effects of the plant extracts on several diabetic-related parameters have been documented in the past, there is no documentation of the effects of this plant on sodium/glucose cotransporter 2 or dipeptidyl peptidase-IV- key drug targets for type 2 diabetes. The present study identified and screened phytoconstituents present in H. cordata Thunb. and characterized their ADME/Tox properties. The compounds present in aqueous and hydroalcoholic extracts of H. cordata Thunb. were identified using High-Performance Thin Layer Chromatography, and Gas Chromatography tandem mass spectrometry. Compounds obeying the Lipinski's Rule of 5 and having high gastrointestinal absorption were then selected and docked with dipeptidyl peptidase-IV and sodium/glucose cotransporter 2. Chromatographic analysis showed the presence of several compounds by matching their recorded spectra with the data bank mass spectra from the NIST library. ADME/Tox properties and docking of the identified compounds indicate the potentiality of the compounds as antidiabetic drug candidates. The compounds from Houttuynia cordata have good binding affinities to peptidase-IV and sodium/glucose cotransporter 2 and can therefore be used as their inhibitors. However, isolation of these phytoconstituents and their in vivo activity will help give a better insight and will open a new area of investigation of individual components and their pharmacological potency.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.001 | 0.000 |
| Meta-epidemiology (broad) | 0.001 | 0.001 |
| Bibliometrics | 0.001 | 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 source (direct Gemma or distilled Codex), 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".