Abstract
Objective: This research aims to observe the pharmacokinetic parameters that can be predicted using a software, discover the best software to predictpharmacokinetic properties, and analyze the correlation between pharmacokinetic parameters used as descriptors with absorption percentage(%ABS) from references.Methods: This research was conducted using Molinspiration, QikProp, admetSAR, SwissADME, Chemicalize, and pkCSM software. This researchanalyzed 34 oral systemic drug compounds for absorption rate and six descriptors comprising molecular weight (MW), logP, hydrogen bond acceptor(HBA), hydrogen bond donor (HBD), polar surface area (PSA), and pKa.Results: SwissADME showed the most accurate prediction of MW, logP, and HBD. Chemicalize showed the most accurate prediction of HBA, PSA, andpKa. Further, admetSAR showed the most accurate prediction of Caco-2 permeability. The highest R value was obtained from the correlation between%ABS with Caco-2 permeability on 34 drug compounds (R=0.8211).Conclusion: The highest R value was obtained from the correlation between %ABS with Caco2 permeability on 34 drug compounds (R=0.8211),which showed a significant relationship (*p<0.001). This indicates that oral systemic drugs are affected by Caco-2 permeability. Moreover, the result of this research can be considered for the development of oral systemic drugs.
Highlights
Oral administration is the most commonly used route for drug administration due to its convenience, high level of patient safety, and the relatively low production cost
The effectiveness of oral systemic drugs is affected by pharmacokinetic properties, involving absorption, distribution, metabolism, and excretion
This study aimed to observe the pharmacokinetic parameters that can be predicted using software, discover the best software to predict pharmacokinetic properties, and analyze the correlation between pharmacokinetic parameters used as descriptors with absorption percentage (%ABS) from reference
Summary
Oral administration is the most commonly used route for drug administration due to its convenience, high level of patient safety, and the relatively low production cost. Drugs designed to be systemically active must be absorbed from the site of administration [1]. The effectiveness of oral systemic drugs is affected by pharmacokinetic properties, involving absorption, distribution, metabolism, and excretion. The major steps occurring during the absorption of oral drugs are the dissolution of the drug from the dosage form, the solubility of the drug, the drug’s effective permeability to the intestinal mucosa, and the drug’s pre-systemic metabolism [2]. Dissolution is the process by which a solid drug substance dissolves in a solvent over time [3]. Solubility is the mass of solute that dissolves in a specific mass or volume of solvent at a given temperature. The solubility test may be used to predict bioavailability
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