Table 5 Parameters used for oritavancin PBPK modelling

Drug name

Oritavancin

LogP

3.59

Chem_property

Zwitterion

Pka1

3.36

Pka2

7.76

Protein_binding

90%

Blood_to_plasma_ratio

0.8

Molecular_weight

1793.1

Absorption inputs

Route_of_admin

Intravenous bolus and infusion

Infusion_time

3 h

Clearance inputs

Clearance_type

IV plasma CL

Apparent_cl

6.2

Apparent_cl_units

mL/min

F_value

1.0

Distribution and elimination inputs

Vd_method

Rodgers & Rowland– Schmitt

Renal_cl

0.445 L/h

Dosing inputs

Dose

200; 800; 1200 (mg)

Dose_interval

24; 0; 0 (hours)

Dose_repeats

2; 0; 0

Dose_end_time

48; 0; 0 (hours)

Simulation_time

1440 (hours)

Optional inputs

Population

100

Sex

Both male (50) and female (50)

Age

18–60 (39.0 ± 12.31 years)

Weight

88.1 ± 16.91 kg