Sample Reports

Combined PK/PD simulation comparing Formulaite Metabolic Support against a representative metabolic formula in an Asian adult overweight/obese virtual cohort. The model links target-site exposure, IC50/EC50 engagement, and docking de-risking to score mechanism-level support. Formulaite shows broader modeled coverage, including carb absorption support and GLP-1/GIP release & satiety signaling support.

Population simulation of a marketed polyherbal weight-management formula across 6 virtual cohorts (n=100 each), identifying which population to test it on before anyone is screened. Cohort choice moves trial size 1.8×: obese men 25–45 need 0.83× the participants of the reference cohort, obese adults 46–65 need 1.52×. Different endpoint, different cohort — obese men lead on blood sugar and liver fat, obese women on appetite. Recruitment cost is flagged too: the best population is harder to find, needing 15.3 people screened per participant against 1.5 for the reference.

PBPK simulation of fenugreek, shatavari and damiana extracts, alone and combined, in 100 virtual American women. The blend beats each extract alone: combined, Shatavarin IV bioavailability rises 1.70× and protodioscin 1.58×. One botanical boosts another — damiana’s apigenin is predicted to inhibit UGT1A1 and CYP3A4, the enzymes that break down both saponins. The biggest gains land where absorption is worst: the two saponins, under 1% bioavailable alone, gain the most, while better-absorbed trigonelline rises only 1.13×.

Study-matched PBPK simulation predicts 54.2× higher dose-normalized bioavailability for hydrophilic carrier ASD versus crystalline powder, and 8.8× for phytosome. These results are close to Jäger et al. 2014 clinical benchmarks of 45.9× and 7.9×, respectively.

PBPK simulation validated against Hermush et al. 2025 — Capsoil self-nanoemulsifying powder achieves 2.28× THC and 2.26× CBD AUC vs MCT tincture control (clinical: 2.86×, 2.27×), with faster onset and 2.5× higher Cmax for THC, 2.7× for CBD from droplet-size–driven lipolysis and lymphatic uptake modeling.

Population-level pharmacokinetics for seven bioactives across Fenugreek and Shatavari extracts, comparing general adults vs. menopausal Asian women (45–55y) with cross-extract DDI analysis.

Cross-formulation PK comparison across 7 delivery formats at 25 mg dose. Buccal strips deliver 22-78% CBD (higher than sublingual) vs <2% for swallowed formats while fasted — a 40× gap. Food boosts oral formats 3-5× but barely matters for transmucosal routes. CBN outpaces CBD by 8-16% in transmucosal delivery but CBD outpaces CBN in oral delivery.

PBPK simulation across 100 virtual adults predicts 21.5% bioavailability for a 34 mg buccal strip versus 0.5% for a 2 g oral powder suspension—a 42× enhancement. Dose-normalized exposure at 2 hours is 13.3× higher, closely matching the approximately 15× clinical observation.

The "natural GLP-1" that barely survives digestion — PBPK simulation across 5 delivery arms reveals berberine's permanent positive charge blocks both food effects and buccal delivery, making piperine co-administration in a capsule a 2.8× boost and buccal strips a dose-constrained dead end.

PBPK quantification of the 2.9× bioenhancement from co-extracted flavonoids on andrographolide (10% → 29.2% F), showing that intrinsic extract synergy dominates over piperine's modest 1.05× additional lift.

Quantum-chemistry-informed stability modeling reproduces 9/10 pairwise retention comparisons from Kharat et al. 2020, including the complete 6/6 protector ranking. Trolox performs best, while α-tocopherol is not recommended for this oil-in-water system because it remains oil-phase limited.

Arrhenius-based shelf-life predictions across five branded curcumin products (C3+BioPerine, BCM-95, Meriva, Longvida, CurcuWIN) under ICH long-term, intermediate, and accelerated conditions with multiple packaging formats.

Computational PD target validation testing whether reported Sphenocentrum jollyanum marker compounds explain reproductive and aphrodisiac biology, benchmarking PDE5A, CYP19A1/aromatase, SRD5A2/5-alpha-reductase, and Tongkat Ali controls. Findings prioritize CYP19A1 and SRD5A2 assay follow-up instead of a Viagra-like PDE5A mechanism.