Simulaite Report — Women's Libido Boost
Generated: May 26, 2026 at 7:56 PM 4 formulation(s) compared · 5 molecule(s) · 3 extract(s)
Bioavailability Results
Extract Breakdown
| Formulation | Extract | Target Dose | Dose-Weighted F | Effective Dose | n |
|---|---|---|---|---|---|
| Blend Capsule (All Three Extracts) | Fenugreek Extract | 80.00 mg | 28.19% | ~22.55 mg | 89 |
| Blend Capsule (All Three Extracts) | Shatavari Root Extract | 10.00 mg | 1.09% | ~0.11 mg | 89 |
| Blend Capsule (All Three Extracts) | Damiana Extract | 4.50 mg | 1.45% | ~0.07 mg | 89 |
| Fenugreek Capsule | Fenugreek Extract | 80.00 mg | 26.71% | ~21.36 mg | 89 |
| Shatavari Capsule | Shatavari Root Extract | 10.00 mg | 0.64% | ~0.06 mg | 89 |
| Damiana Capsule | Damiana Extract | 4.50 mg | 1.30% | ~0.06 mg | 89 |
- Compound Breakdown
- 4-Hydroxyisoleucine
| Formulation | F% | CV% | Effective Dose | Onset (T½rise) | Tmax (h) | n |
|---|---|---|---|---|---|---|
| Blend Capsule (All Three Extracts) | 92.79% ± 5.13% | 6% | ~13.92 mg | 42 min | 1.8 | 89 |
| Fenugreek Capsule | 92.79% ± 5.13% | 6% | ~13.92 mg | 42 min | 1.8 | 89 |
Apigenin
| Formulation | F% | CV% | Effective Dose | Onset (T½-rise) | Tmax (h) | n |
|---|---|---|---|---|---|---|
| Blend Capsule (All Three Extracts) | 1.45% ± 0.73% | 50% | ~0.07 mg | 35 min | 2.0 | 89 |
| Damiana Capsule | 1.30% ± 0.72% | 55% | ~0.06 mg | 34 min | 1.8 | 89 |
Protodioscin
| Formulation | F% | CV% | Effective Dose | Onset (T½-rise) | Tmax (h) | n |
|---|---|---|---|---|---|---|
| Blend Capsule (All Three Extracts) | 1.42% ± 0.77% | 54% | ~0.71 mg | 1.8 h | 4.2 | 89 |
| Fenugreek Capsule | 0.90% ± 0.49% | 54% | ~0.45 mg | 1.5 h | 3.6 | 89 |
Shatavarin IV
| Formulation | F% | CV% | Effective Dose | Onset (T½-rise) | Tmax (h) | n |
|---|---|---|---|---|---|---|
| Blend Capsule (All Three Extracts) | 1.09% ± 0.61% | 56% | ~0.11 mg | 2.5 h | 8.6 | 89 |
| Shatavari Capsule | 0.64% ± 0.36% | 56% | ~0.06 mg | 2.1 h | 8.4 | 89 |
Trigonelline
| Formulation | F% | CV% | Effective Dose | Onset (T½rise) | Tmax (h) | n |
|---|---|---|---|---|---|---|
| Blend Capsule (All Three Extracts) | 52.84% ± 14.52% | 27% | ~7.93 mg | 25 min | 0.8 | 89 |
| Fenugreek Capsule | 46.64% ± 14.09% | 30% | ~7.00 mg | 25 min | 0.8 | 89 |
Extract dose-weighted F = Σ(compound dose × F%) / Σ(compound dose). Extract effective dose = Σ(compound effective doses), using each compound's own F%. T½-rise = time from dose to 50% of peak. Tmax = time to peak.
- PK Concentration-Time Curves (normalized)
- Y-axis normalized to peak Cmax. Shaded band = P5-P95 population range.
4-
- Hydroxyisoleuci
- ne
Apigenin
Protodioscin
Shatavarin IV
Trigonelline
Molecules
| Name | SMILES |
|---|---|
| Protodioscin | C[C@H]1[C@H]2[C@H] (C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@... |
| Trigonelline | C[N+]1=CC=CC(=C1)C(=O)[O-] |
| 4-Hydroxyisoleucine | C[C@H]([C@@H](C(=O)O)N)C(C)O |
| Shatavarin IV | C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H] (O2)C[C@@H]4[C@@]3(CC[C... |
| Apigenin | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
We use our suite of graph neural networks to predict relevant molecular properties and interactions with liver enzymes, plasma proteins, and the gut wall to inform the simulations.
Extracts
Fenugreek Extract — 500 mg / 500 mg
| Molecule | % | Dose (mg) |
|---|---|---|
| Protodioscin | 10% | 50.0 / 50.0 mg |
| Trigonelline | 3% | 15.0 / 15.0 mg |
| 4-Hydroxyisoleucine | 3% | 15.0 / 15.0 mg |
Shatavari Root Extract — 100 mg / 100 mg
| Molecule | % | Dose (mg) |
|---|---|---|
| Shatavarin IV | 10% | 10.0 / 10.0 mg |
Damiana Extract — 300 mg / 300 mg
| Molecule | % | Dose (mg) |
|---|---|---|
| Apigenin | 1.5% | 4.5 / 4.5 mg |
Recipes
Blend Capsule
| Ingredient | Type | Dose (mg) |
|---|---|---|
| Fenugreek Extract | Extract | 500 mg |
| Shatavari Root Extract | Extract | 100 mg |
| Damiana Extract | Extract | 300 mg |
Fenugreek Only
| Ingredient | Type | Dose (mg) |
|---|---|---|
| Fenugreek Extract | Extract | 500 mg |
Shatavari Only
| Ingredient | Type | Dose (mg) |
|---|---|---|
| Shatavari Root Extract | Extract | 100 mg |
Damiana Only
| Ingredient | Type | Dose (mg) |
|---|---|---|
| Damiana Extract | Extract | 300 mg |
Formulations
1. Blend Capsule (All Three Extracts)
- Delivery Type
- Capsule
- Capsule Shell Lag Time
- 15 min
- Compound
- Fenugreek Extract
- Dose
- 500 mg
- Formulation Type
- Powder
- Particle Radius (Lognormal Mean)
- 80 µm
- Particle Radius (Lognormal GSD)
- 2
- Compound
- Shatavari Root Extract
- Dose
- 100 mg
- Formulation Type
- Powder
- Particle Radius (Lognormal Mean)
- 80 µm
- Particle Radius (Lognormal GSD)
- 2
- Compound
- Damiana Extract
- Dose
- 300 mg
- Formulation Type
- Powder
- Particle Radius (Lognormal Mean)
- 80 µm
- Particle Radius (Lognormal GSD)
- 2
Time to 50% Dissolved 15 min
2. Fenugreek Capsule
- Delivery Type
- Capsule
- Capsule Shell Lag Time
- 15 min
- Compound
- Fenugreek Extract
- Dose
- 500 mg
- Formulation Type
- Powder
- Particle Radius (Lognormal Mean)
- 80 µm
- Particle Radius (Lognormal GSD)
- 2
Time to 50% Dissolved 15 min
3. Shatavari Capsule
- Delivery Type
- Capsule
- Capsule Shell Lag Time
- 15 min
- Compound
- Shatavari Root Extract
- Dose
- 100 mg
- Formulation Type
- Powder
- Particle Radius (Lognormal Mean)
- 80 µm
- Particle Radius (Lognormal GSD)
- 2
Time to 50% Dissolved 15 min
4. Damiana Capsule
- Delivery Type
- Capsule
- Capsule Shell Lag Time
- 15 min
- Compound
- Damiana Extract
- Dose
- 300 mg
- Formulation Type
- Powder
- Particle Radius (Lognormal Mean)
- 80 µm
- Particle Radius (Lognormal GSD)
- 2
Time to 50% Dissolved 15 min
Advanced Details (Predicted)
Enzyme contributions, P-gp substrate probability, and inhibition flags are ADMET model predictions — not clinically validated values.
Metabolic Clearance — Enzyme Contributions
| Compound | CYP1A2 | CYP3A4 | CYP2D6 | CYP2C9 | CYP2C19 | UGT1A1 | P-gp sub. |
|---|---|---|---|---|---|---|---|
| 4-Hydroxyisoleucine | — | — | — | — | — | — | — |
| Apigenin | — | 0.9% | 0.6% | 0.5% | — | 49.8% * | — |
| Protodioscin | — | 41.5% | 5.9% | — | — | 52.6% * | Yes |
| Shatavarin IV | — | 35.1% | 7.4% | — | — | 57.4% * | Yes |
| Compound | CYP1A2 | CYP3A4 | CYP2D6 | CYP2C9 | CYP2C19 | UGT1A1 | P-gp sub. |
|---|---|---|---|---|---|---|---|
| Trigonelline | — | 29.7% * | 22.2% | 20.8% | — | 27.3% | — |
Enzyme Inhibition Profile
| Compound | CYP1A2 | CYP3A4 | CYP2D6 | CYP2C9 | CYP2C19 | UGT1A1 | P-gp inh. |
|---|---|---|---|---|---|---|---|
| 4-Hydroxyisoleucine | — | — | — | — | — | — | — |
| Apigenin | Yes | Yes | — | — | — | Yes | — |
| Protodioscin | — | — | — | — | — | — | — |
| Shatavarin IV | — | — | — | — | — | — | — |
| Trigonelline | Yes | — | — | — | — | — | — |
Inhibition probability ≥50% = inhibitor. Relevant for co-administration with CYP substrates.
Bioavailability Targets
Protodioscin, Trigonelline, 4-Hydroxyisoleucine, Shatavarin IV, Apigenin
Population & Conditions
- Population
- American (with Census Demographics)
- Sample Size (n)
- 100
- Age Range
- 26–60 years
Female %
100%
- Weight
- 44–124 kg (mean 70 kg)
- Height
- 143–178 cm (mean 161 cm)
- BMI
- 18–45 kg/m² (mean 27)
- Race/Ethnicity
- White 61% · Latino 19% · African American 13% · Asian 6%
- BMI Breakdown
- Normal 46% · Overweight 31% · Obese 22% · Underweight 1%
- Prandial State
- Fasted
- Simulation Duration
- 24h