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Spatial ADC delivery and delayed cellular response

Explore finite-volume radial ADC delivery, direct and bystander payload exposure, and delayed two-population tumor response under explicit prescribed vascular input. This local deterministic module does not predict systemic PK or survival.

Integrating a Tumor Size-Overall Survival Model into a Spatial Quantitative Systems Pharmacology Framework for Antibody-Drug Conjugates in Non-Small Cell Lung Cancer ↗

CPT: Pharmacometrics & Systems Pharmacology

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No vascular ADC exposure

Zero vascular ADC input throughout this seven-day control; no concentration pulse is administered. With no payload, this control follows the declared growth equation and generates no drug-induced injury. Fixed geometry and one-way PK-to-response coupling are assumptions; this is not a clinical untreated-tumor forecast.

0–168 hour

Scenario details

No vascular ADC exposure

Zero vascular ADC input throughout this seven-day control; no concentration pulse is administered. With no payload, this control follows the declared growth equation and generates no drug-induced injury. Fixed geometry and one-way PK-to-response coupling are assumptions; this is not a clinical untreated-tumor forecast.

Readouts

Vascular ADC · nanomole/liter
Original deterministic local research readout.
Near positive payload · nanomole/liter
Original deterministic local research readout.
Far positive payload · nanomole/liter
Original deterministic local research readout.
Relative tumor burden · dimensionless
Original deterministic local research readout.
Relative tumor diameter · dimensionless
Original deterministic local research readout.
Mean extracellular ADC · nanomole/liter
Original deterministic local research readout.

Study purpose

  • How do the model's key biological readouts change under no vascular adc exposure?

Assumptions

  • Interpret patterns within this model and starting configuration; do not treat them as clinical predictions or treatment recommendations.
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Simulation time
h
h

Time between reported samples.

h

Starting settings · Variation 1

Biology

Explore finite-volume radial ADC delivery, direct and bystander payload exposure, and delayed two-population tumor response under explicit prescribed vascular input. This local deterministic module does not predict systemic PK or survival.

Explore finite-volume radial ADC delivery, direct and bystander payload exposure, and delayed two-population tumor response under explicit prescribed vascular input. This local deterministic module does not predict systemic PK or survival.

Model details

27 parameters · 92 states · 92 equations · 6 derived outputs

Classification & API access
Therapeutic
Topoisomerase-I-payload ADC (local exposure experiment)
Modality
Antibody–drug conjugate (ADC)
Target
HER2 / ERBB2, TROP2
Disease / scope
Non-small cell lung cancer
ParameterDefaultUnitDescription
ADC diffusion MM2adc_diffusion_mm2_h0.09167mm²/hReported local ADC diffusivity, first compound context.
ADC wall permeability mmadc_wall_permeability_mm_h0.0139mm/hReported capillary ADC permeability.
Associationassociation_nM_h2.561/(nmol/L)/hReported target association constant.
Avogadroavogadro_per_mol6.02214076e+231/moleExact SI physical constant.
Axial length mmaxial_length_mm1mmArbitrary1mm reference cylinder length; concentrations and normalized response are invariant to its scaling.
Cell volumecell_volume_L2e-12LExplicit2pL cell-volume default; source local normalization not uniquely supplied.
Dardar8—Reported payload count per ADC in first compound context.
Deconjugationdeconjugation_h0.000060121/hReported ADC deconjugation constant; DAR remains fixed to avoid double-counted linker loss.
Dissociationdissociation_h1.281/hReported target dissociation constant.
Extracellular fractionextracellular_fraction0.24—Explicit extracellular-space default; fixed geometry.
Growthgrowth_h0.000187539821580071761/hExplicit22week volume-doubling representative default within reported4–80week range; not fitted.
Hill powerhill_power1—Unreported Hill exponent: standard occupancy power1 is the explicit working default; power2 is a fixed sensitivity.
Inner radius mminner_radius_mm0.005mmReported5micrometre capillary radius.
Internalizationinternalization_h0.11881/hReported target-complex internalization constant, first compound context.
Maximum impairmentmaximum_impairment_h0.31571/hReported maximal intracellular-payload impairment constant, first compound context.
Maximum targetsmaximum_targets_cell100000—Reported receptor count in first compound context.
MM3mm3_per_L1000000mm³/LGeometric volume conversion.
NnM_per_mol_L1000000000nmol/moleAmount-unit conversion.
Outer radius mmouter_radius_mm0.075mmReported75micrometre outer Krogh radius.
Payload diffusion MM2payload_diffusion_mm2_h1.04167mm²/hReported local free-payload diffusivity.
Payload EC50payload_ec50_nM3.0122nmol/LReported intracellular-payload potency, first compound context.
Payload effluxpayload_efflux_h11.24021/hReported assumed equal free-payload cell efflux constant.
Payload influxpayload_influx_h11.24021/hReported free-payload cell influx constant.
Payload wall permeability mmpayload_wall_permeability_mm_h0.875mm/hReported capillary payload permeability; blood is an absorbing sink in this local experiment.
Positive cell fractionpositive_cell_fraction0.5—Explicit representative antigen-positive fraction; no virtual-patient draw.
Transittransit_h0.0416666666666666641/hThree-stage injury transit rate using reported24hour delay as each transit timescale.
Vascular lossvascular_loss_h0.0072202831308327631/hIllustrative96hour vascular half-life, not a fitted or reported clinical PK prediction.

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