Recent Advances in the Prediction of Pharmacokinetics Properties in Drug Design Studies: A Review

This review presents the main aspects related to pharmacokinetic properties, which are essential for the efficacy and safety of drugs. This topic is very important because the analysis of pharmacokinetic aspects in the initial design stages of drug candidates can increase the chances of success for the entire process. In this scenario, experimental and in silico techniques have been widely used. Due to the difficulties encountered with the use of some experimental tests to determine pharmacokinetic properties, several in silico tools have been developed and have shown promising results. Therefore, in this review, we address the main free tools/servers that have been used in this area, as well as some cases of application. Finally, we present some studies that employ a multidisciplinary approach with synergy between in silico, in vitro, and in vivo techniques to assess ADME properties of bioactive substances, achieving successful results in drug discovery and design. Better outcomes: Assessing absorption, distribution, metabolism, and excretion (ADME) properties at each stage of drug candidate screening is a necessary and responsible approach in drug discovery and design, aiding in the safety and optimization of the entire process. This review provides a summary of recent computational techniques used to guide ADME predictions.