Abstract
The objective of this study was to predict the pharmacokinetic parameters of 5,6,7,8-tetrahydroquinoline-3-amine derivatives using the ADMET 2.0 web resource and compare them with 4-aminoquinoline and chloroquine. The tested substances exhibited favorable indicators of intestinal absorption, clearance, half-life, and liver damage, mutagenicity, and carcinogenicity. The derivatives of 5,6,7,8-tetrahydroquinolin-3-amine studied here have increased indicators of blood-brain barrier penetration. Therefore, they cannot be recommended for the production of drugs that act on the central nervous system. Based on the prediction results, the compounds with tert-butyl and tert-amyl substituents in the 7th position were found to be the most effective. The SuperPred 3.0 web resource was used to predict the molecular targets for binding of derivatives of 5,6,7,8-tetrahydroquinoline-3-amine. The aminoquinolines and chloroquine studied in this research have common binding targets, including tyrosyl-DNA-phosphodiesterase 1, DNA-(apurine or apyrimidine site) lyase, neuronal acetylcholine receptor alpha3/beta4, and cathepsin D. These predicted binding targets play important roles in regulating cell function. The derivatives of 5,6,7,8-tetrahydroquinoline-3-amines presented in this study are promising compounds for further pharmacological research due to their effective synthesis method and pharmacokinetic properties.
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