Research Article
Pharmacokinetic and Toxicological Evaluation of a Zinc Gluconate-Based Chemical Sterilant Using In Vitro and In Silico Approaches
Table 1
Infertile’s pharmacokinetic (ADME) properties prediction in pkCSM analysis of similarity.
| | Property | Model name | Predicted value | Unit |
| | Absorption | Water solubility | 2.99 | Numeric (mmol/L) | | Absorption | Caco2 permeability | −0,8980 | Numeric (log Papp in 10−6 cm/s) | | Absorption | Intestinal absorption (human) | 0,0000 | Numeric (% Absorbed) | | Absorption | Skin permeability | −2.7350 | Numeric (log Kp) | | Absorption | P-glycoprotein substrate | Yes | Categorical (yes/no) | | Absorption | P-glycoprotein I inhibitor | No | Categorical (yes/no) | | Absorption | P-glycoprotein II inhibitor | No | Categorical (yes/no) | | Distribution | VDss (human) | 44.9 | Numeric (mL/kg) | | Distribution | Fraction unbound (human) | 0.8810 | Numeric (Fu) | | Distribution | BBB permeability | −2.2160 | Numeric (log BB) | | Distribution | CNS permeability | −6.1620 | Numeric (log PS) | | Metabolism | CYP2D6 substrate | No | Categorical (yes/no) | | Metabolism | CYP3A4 substrate | No | Categorical (yes/no) | | Metabolism | CYP1A2 inhibitor | No | Categorical (yes/no) | | Metabolism | CYP2C19 inhibitor | No | Categorical (yes/no) | | Metabolism | CYP2C9 inhibitor | No | Categorical (yes/no) | | Metabolism | CYP2D6 inhibitor | No | Categorical (yes/no) | | Metabolism | CYP3A4 inhibitor | No | Categorical (yes/no) | | Excretion | Total clearance | 4.06 | Numeric (ml/min/kg) | | Excretion | Renal OCT2 substrate | No | Categorical (yes/no) |
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VDss: volume of distribution at steady state; BBB: brain blood barrier; CNS: central nervous center; CYP: cytochrome P; OCT: organic cation transporter.
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