Modeling Drug-Carrier Interaction in the Drug Release from Nanocarriers

Table 3

Parameter estimates for simulations in Figure 5.

Drug/Carrier^a	Mechanisms	Variables	Model parameters^b
			𝑘𝑆	𝑘off	Δ𝐺 (10^−21 J)
DoxorubicinPLLA fibers [14]	Hydrophobicity	dox hydrochloride	0.027^a	0.001^a	7.4
		dox base	0.041^a	0.0004^a	−6.65
		100 : 0 AG/HP	11.1^c	0.095^c	1.03
Avidin CS-AG fibers [7]		80 : 20 AG/HP	11.2^c	0.064^c	−2.37
	Heparin addition	90 : 10 AG/HP	5.12^c	0.053^c	−2.09
		50 : 50 AG/HP	9.89^c	0.045^c	−2.64
PDGF CS-AG fibers [7]		100 : 0 AG/HP	0.677^c	0.027^c	−4.14
		90 : 10 AG/HP	0.486^c	0.001^c	−13.5
VEGFPEtU-PDMS/fibrin fibers [15]		10 mg/mL fibrin	0.435^c	0.009^c	0.187
	Fibrin concentration	20 mg/mL fibrin	0.434^c	0.017^c	−1.27
bFGFPEtU-PDMS/fibrin fibers [15]		10 mg/mL fibrin	0.289^c	0.001^c	0.65
		20 mg/mL fibrin	0.242^c	0.017^c	−1.94
GSMBGHFs [16]	Fiber length	2–2.5 mm	0.444^b	0.005^b	7.24
		5–10 mm	0.136^b	0.012^b	5.13
BSAhydrogel nanofibers		37°C	4.81^c	0.027^c	−4.9
	Temperature	25°C	1.585^c	0.017^c	−5.47
BSAPCL fibers [31]		37°C	1.114^c	0.011^c	−4.72
		25°C	1.521^c	0.011^c	−6.33

^aPLLA: poly(L-lactide), Dox: doxorubicin, CS: chitosan, AG: alginate, HP: heparin, PDGF: recombinant human platelet derived growth factor, VEGF: vascular endothelial growth factors, bFGF: basic fibroblast growth factors, PEtU-PDMS: poly(ether)urethane-polydimethylsiloxane, GS: gentamicin sulfate, MBGHFs: mesoporous bioactive glass hollow fibers, BSA: bovine serum albumin, hydrogel fibers: poly(PEG/PPG/PCL urethane) hydrogel fibers, PEG: poly(ethylene glycol), PPG: poly(propylene glycol), and PCL: poly(ε-caprolactone).
^b𝑘_on and 𝑘_off have different units in different cases: M: minute⁻¹, H: hour⁻¹, and D: day⁻¹.