Tacrolimus and Azole Derivatives of Agricultural and Human Health Importance : Prediction of ADME Properties
Copyright© Bentham Science Publishers; For any queries, please email at epubbenthamscience.net..
INTRODUCTION: Agricultural chemicals are impacting health nowadays. Recently, promising synergistic antifungal interaction between tacrolimus and some azole compounds was studied.
OBJECTIVE: 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.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2024 2023 |
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| Erschienen: |
2024 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:20 |
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| Enthalten in: |
Current computer-aided drug design - 20(2023), 1 vom: 08., Seite 42-48 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Antypenko, Lyudmyla [VerfasserIn] |
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| Links: |
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| Themen: |
{2-(3-R-1H-1 |
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| Anmerkungen: |
Date Revised 13.10.2023 published: Print Citation Status Publisher |
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| doi: |
10.2174/1573409919666230228122259 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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NLM353588822 |
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| 520 | |a Copyright© Bentham Science Publishers; For any queries, please email at epubbenthamscience.net. | ||
| 520 | |a INTRODUCTION: Agricultural chemicals are impacting health nowadays. Recently, promising synergistic antifungal interaction between tacrolimus and some azole compounds was studied | ||
| 520 | |a OBJECTIVE: To determine ADME parameters, potential side effects of test substances to reduce time and resources in the future | ||
| 520 | |a METHODS: All descriptors and molecular parameters were obtained by the protocols of SwissADME and ProTox II | ||
| 520 | |a RESULTS: In the result, the following physicochemical and drug-likeness parameters were calculated | ||
| 520 | |a 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 | ||
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