ADME of Bromo-DragonFLY as an example of a new psychoactive substance (NPS) – application of in Silico methods for prediction: absorption, distribution, metabolism and excretion
Abstract Bromo-DragonFLY, a new psychoactive substance (NPS) within the phenethylamine class, is noted for its exceptional potency and prolonged psychoactive effects. Despite its severe toxic reactions and fatalities, research on its human metabolic fate remains limited. This study predicts the abso...
Saved in:
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-07-01
|
| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-025-06453-4 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1849399954424987648 |
|---|---|
| author | Maciej Noga Kamil Jurowski |
| author_facet | Maciej Noga Kamil Jurowski |
| author_sort | Maciej Noga |
| collection | DOAJ |
| description | Abstract Bromo-DragonFLY, a new psychoactive substance (NPS) within the phenethylamine class, is noted for its exceptional potency and prolonged psychoactive effects. Despite its severe toxic reactions and fatalities, research on its human metabolic fate remains limited. This study predicts the absorption, distribution, metabolism, and excretion (ADME) of Bromo-DragonFLY using in silico methods. Results indicate high gastrointestinal absorption and potential blood-brain barrier penetration, enhancing its central nervous system effects. The compound shows significant plasma protein binding and involves multiple cytochrome P450 isoenzymes in its metabolism, with variability in phase I and II reactions. Predicted metabolites form through epoxidation, quinone formation, UGT conjugation, and N-dealkylation, exhibiting reactivity with proteins, DNA, and glutathione, contributing to its toxicological profile. Excretion is predicted mainly via renal pathways. These insights are crucial for understanding the toxicological risks of Bromo-DragonFLY, exemplifying the challenges posed by NPS. |
| format | Article |
| id | doaj-art-f3fbbf07e313456a85a6fc0a22b73a7f |
| institution | Kabale University |
| issn | 2045-2322 |
| language | English |
| publishDate | 2025-07-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj-art-f3fbbf07e313456a85a6fc0a22b73a7f2025-08-20T03:38:12ZengNature PortfolioScientific Reports2045-23222025-07-0115111910.1038/s41598-025-06453-4ADME of Bromo-DragonFLY as an example of a new psychoactive substance (NPS) – application of in Silico methods for prediction: absorption, distribution, metabolism and excretionMaciej Noga0Kamil Jurowski1Department of Regulatory and Forensic Toxicology, Institute of Medical ExpertisesDepartment of Regulatory and Forensic Toxicology, Institute of Medical ExpertisesAbstract Bromo-DragonFLY, a new psychoactive substance (NPS) within the phenethylamine class, is noted for its exceptional potency and prolonged psychoactive effects. Despite its severe toxic reactions and fatalities, research on its human metabolic fate remains limited. This study predicts the absorption, distribution, metabolism, and excretion (ADME) of Bromo-DragonFLY using in silico methods. Results indicate high gastrointestinal absorption and potential blood-brain barrier penetration, enhancing its central nervous system effects. The compound shows significant plasma protein binding and involves multiple cytochrome P450 isoenzymes in its metabolism, with variability in phase I and II reactions. Predicted metabolites form through epoxidation, quinone formation, UGT conjugation, and N-dealkylation, exhibiting reactivity with proteins, DNA, and glutathione, contributing to its toxicological profile. Excretion is predicted mainly via renal pathways. These insights are crucial for understanding the toxicological risks of Bromo-DragonFLY, exemplifying the challenges posed by NPS.https://doi.org/10.1038/s41598-025-06453-4 |
| spellingShingle | Maciej Noga Kamil Jurowski ADME of Bromo-DragonFLY as an example of a new psychoactive substance (NPS) – application of in Silico methods for prediction: absorption, distribution, metabolism and excretion Scientific Reports |
| title | ADME of Bromo-DragonFLY as an example of a new psychoactive substance (NPS) – application of in Silico methods for prediction: absorption, distribution, metabolism and excretion |
| title_full | ADME of Bromo-DragonFLY as an example of a new psychoactive substance (NPS) – application of in Silico methods for prediction: absorption, distribution, metabolism and excretion |
| title_fullStr | ADME of Bromo-DragonFLY as an example of a new psychoactive substance (NPS) – application of in Silico methods for prediction: absorption, distribution, metabolism and excretion |
| title_full_unstemmed | ADME of Bromo-DragonFLY as an example of a new psychoactive substance (NPS) – application of in Silico methods for prediction: absorption, distribution, metabolism and excretion |
| title_short | ADME of Bromo-DragonFLY as an example of a new psychoactive substance (NPS) – application of in Silico methods for prediction: absorption, distribution, metabolism and excretion |
| title_sort | adme of bromo dragonfly as an example of a new psychoactive substance nps application of in silico methods for prediction absorption distribution metabolism and excretion |
| url | https://doi.org/10.1038/s41598-025-06453-4 |
| work_keys_str_mv | AT maciejnoga admeofbromodragonflyasanexampleofanewpsychoactivesubstancenpsapplicationofinsilicomethodsforpredictionabsorptiondistributionmetabolismandexcretion AT kamiljurowski admeofbromodragonflyasanexampleofanewpsychoactivesubstancenpsapplicationofinsilicomethodsforpredictionabsorptiondistributionmetabolismandexcretion |