Tacrolimus and Azole Derivatives of Agricultural and Human Health Importance: Prediction of ADME Properties

Autor: Lyudmyla Antypenko, Konstyantyn Shabelnyk, Sergiy Kovalenko
Rok vydání: 2023
Předmět:
Zdroj: Current Computer-Aided Drug Design. 19
ISSN: 1573-4099
DOI: 10.2174/1573409919666230228122259
Popis: Introduction: Agricultural chemicals are impacting health nowadays. Recently, promising synergistic antifungal interaction between tacrolimus and some azole compounds was studied. Method: All descriptors and molecular parameters were obtained by the protocols of swissadme. Result: in the result, the following physicochemical and drug-likeness parameters were calculated. Conclusion: Studied triazoles 1 and 2 showed good ADME characteristics and promising toxicity levels suitable to be checked for in vitro toxicology in case of future advanced results in the agricultural field.
Databáze: OpenAIRE