Monte Carlo Dosing Simulations of Topical Terpinen-4-ol from Zingiber cassumunar (Plai) Oil against Cutibacterium acnes and Staphylococcus aureus
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Zingiber cassumunar Roxb or plai oil contains terpinen-4-ol (T4) as a major component possessing antimicrobial effects. However, data regarding optimal antimicrobial dosages of topical T4 is limited. This study aimed to develop and validate gas chromatographic-mass spectrometric (GC-MS) methods for quantifying and investigating physicochemical properties of T4. The effective dosage regimens against Cutibacterium acnes and Staphylococcus aureus were predicted using Monte Carlo simulation. The results demonstrated that the solubility of T4 was higher than that of plai oil and the log Kow of T4 and plai oil were in the range of 0.73-2.83 and 0.77-2.88, respectively. Simulation analysis suggested topical T4 dosage regimens of 1.50 g/cm2 and 2.00 g/cm2 in every 12 h to suppress C. acne with MIC 1489.60 µg/mL and S. aureus with MIC 2327.50 µg/mL, respectively to achieve the PKPD targets of Cmax > MIC 1 and AUC > MIC 2. The dosing conversion to the plai oil topical dosage regimens were 3.13 g/cm2 and 4.17 g/cm2 in every 12 h, respectively. At higher MIC or PKPD target for either Cmax > MIC 2 or enhanced T4 penetration, T4 and plai oil topical dosage regimens were 2.70 g/cm2 and 5.63 g/cm2 in every 12 h, respectively.
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