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


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Abstract

Introduction:Agricultural chemicals are impacting health nowadays. Recently, promising synergistic antifungal interaction between tacrolimus and some azole compounds was studied.

Objectives:To determine ADME parameters, potential side effects of test substances to reduce time and resources in the future

Methods:All descriptors and molecular parameters were obtained by the protocols of SwissADME and ProTox II.

Results: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.

About the authors

Lyudmyla Antypenko

Department of Bioscience and Biotechnology, Graduate School of Bioresource and Bioenvironmental Sciences, Kyushu University

Author for correspondence.
Email: info@benthamscience.net

Konstyantyn Shabelnyk

Department of Pharmaceutical Chemistry, Zaporizhia State Medical University

Email: info@benthamscience.net

Sergiy Kovalenko

Research Institute of Chemistry and Geology,, Oles Honchar Dnipro National University

Email: info@benthamscience.net

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