Supramolecular Brake for Slowing Fentanyl Into Brain to Ameliorate Its Therapeutic Outcome

ABSTRACT Fentanyl (Fen) analogs, clinically used anesthetic adjuvants, are often trouble with overdose‐induced adverse effects due to rapid entry into the brain plus short retention time. Advanced approaches that can relieve related life‐threatening symptoms without compromising their anesthetic eff...

Full description

Saved in:
Bibliographic Details
Main Authors: Longming Chen, Kaili Jiang, Yuanyuan Liu, Mengran Song, Yibo Zhao, Chengyang Tian, Yahan Zhang, Ziliang Zhang, Xiang Yu, Junhai Xiao, Junyi Chen, Zheng Yong, Chunju Li, Qingbin Meng
Format: Article
Language:English
Published: Wiley 2025-06-01
Series:SmartMat
Subjects:
Online Access:https://doi.org/10.1002/smm2.70020
Tags: Add Tag
No Tags, Be the first to tag this record!
_version_ 1850121422614036480
author Longming Chen
Kaili Jiang
Yuanyuan Liu
Mengran Song
Yibo Zhao
Chengyang Tian
Yahan Zhang
Ziliang Zhang
Xiang Yu
Junhai Xiao
Junyi Chen
Zheng Yong
Chunju Li
Qingbin Meng
author_facet Longming Chen
Kaili Jiang
Yuanyuan Liu
Mengran Song
Yibo Zhao
Chengyang Tian
Yahan Zhang
Ziliang Zhang
Xiang Yu
Junhai Xiao
Junyi Chen
Zheng Yong
Chunju Li
Qingbin Meng
author_sort Longming Chen
collection DOAJ
description ABSTRACT Fentanyl (Fen) analogs, clinically used anesthetic adjuvants, are often trouble with overdose‐induced adverse effects due to rapid entry into the brain plus short retention time. Advanced approaches that can relieve related life‐threatening symptoms without compromising their anesthetic efficacy are urgently needed to satisfy these special requirements. Herein, we propose that utilization of a well‐matched macrocycle, terphen[3]arene sulfate (TP3S) as a molecular‐level brake for Fen via the pharmacokinetic mode to execute this task. NMR and titration experiments confirm that TP3S possessed strong complexation ability toward Fen with an association constant of (1.36 ± 0.12) × 106 M−1. Then, Transwell assays demonstrate that TP3S itself is unable to cross the blood–brain barrier, and codosed with Fen could effectively decelerate its velocity of entering the brain. Respiration‐related evaluations and pharmacodynamics analyses reveal that administration of such a brake alleviates Fen‐induced respiratory depression without losing its effectiveness. The therapeutic index of Fen/TP3S is calculated to be ~57% higher than that of Fen alone, and through pharmacokinetic studies, it has been clarified that ameliorating Fen's therapeutic outcome stemmed from reducing the initial brain concentration of Fen and maintaining its effective dose for a longer time. This supramolecular approach could also act on other opioids as long as strong binding was achieved.
format Article
id doaj-art-9e7e574dac204bd59df27075e90d7d29
institution OA Journals
issn 2688-819X
language English
publishDate 2025-06-01
publisher Wiley
record_format Article
series SmartMat
spelling doaj-art-9e7e574dac204bd59df27075e90d7d292025-08-20T02:35:05ZengWileySmartMat2688-819X2025-06-0163n/an/a10.1002/smm2.70020Supramolecular Brake for Slowing Fentanyl Into Brain to Ameliorate Its Therapeutic OutcomeLongming Chen0Kaili Jiang1Yuanyuan Liu2Mengran Song3Yibo Zhao4Chengyang Tian5Yahan Zhang6Ziliang Zhang7Xiang Yu8Junhai Xiao9Junyi Chen10Zheng Yong11Chunju Li12Qingbin Meng13State Key Laboratory of National Security Specially Needed Medicines Beijing Institute of Pharmacology and Toxicology Beijing ChinaState Key Laboratory of National Security Specially Needed Medicines Beijing Institute of Pharmacology and Toxicology Beijing ChinaState Key Laboratory of National Security Specially Needed Medicines Beijing Institute of Pharmacology and Toxicology Beijing ChinaState Key Laboratory of National Security Specially Needed Medicines Beijing Institute of Pharmacology and Toxicology Beijing ChinaKey Laboratory of Inorganic–Organic Hybrid Functional Material Chemistry, Ministry of Education, Tianjin Key Laboratory of Structure and Performance for Functional Molecules, College of Chemistry Tianjin Normal University Tianjin ChinaState Key Laboratory of National Security Specially Needed Medicines Beijing Institute of Pharmacology and Toxicology Beijing ChinaState Key Laboratory of National Security Specially Needed Medicines Beijing Institute of Pharmacology and Toxicology Beijing ChinaState Key Laboratory of National Security Specially Needed Medicines Beijing Institute of Pharmacology and Toxicology Beijing ChinaState Key Laboratory of National Security Specially Needed Medicines Beijing Institute of Pharmacology and Toxicology Beijing ChinaState Key Laboratory of National Security Specially Needed Medicines Beijing Institute of Pharmacology and Toxicology Beijing ChinaState Key Laboratory of National Security Specially Needed Medicines Beijing Institute of Pharmacology and Toxicology Beijing ChinaState Key Laboratory of National Security Specially Needed Medicines Beijing Institute of Pharmacology and Toxicology Beijing ChinaKey Laboratory of Inorganic–Organic Hybrid Functional Material Chemistry, Ministry of Education, Tianjin Key Laboratory of Structure and Performance for Functional Molecules, College of Chemistry Tianjin Normal University Tianjin ChinaState Key Laboratory of National Security Specially Needed Medicines Beijing Institute of Pharmacology and Toxicology Beijing ChinaABSTRACT Fentanyl (Fen) analogs, clinically used anesthetic adjuvants, are often trouble with overdose‐induced adverse effects due to rapid entry into the brain plus short retention time. Advanced approaches that can relieve related life‐threatening symptoms without compromising their anesthetic efficacy are urgently needed to satisfy these special requirements. Herein, we propose that utilization of a well‐matched macrocycle, terphen[3]arene sulfate (TP3S) as a molecular‐level brake for Fen via the pharmacokinetic mode to execute this task. NMR and titration experiments confirm that TP3S possessed strong complexation ability toward Fen with an association constant of (1.36 ± 0.12) × 106 M−1. Then, Transwell assays demonstrate that TP3S itself is unable to cross the blood–brain barrier, and codosed with Fen could effectively decelerate its velocity of entering the brain. Respiration‐related evaluations and pharmacodynamics analyses reveal that administration of such a brake alleviates Fen‐induced respiratory depression without losing its effectiveness. The therapeutic index of Fen/TP3S is calculated to be ~57% higher than that of Fen alone, and through pharmacokinetic studies, it has been clarified that ameliorating Fen's therapeutic outcome stemmed from reducing the initial brain concentration of Fen and maintaining its effective dose for a longer time. This supramolecular approach could also act on other opioids as long as strong binding was achieved.https://doi.org/10.1002/smm2.70020fentanylhost–guest complexationsupramolecular braketerphen[3]arene sulfatetherapeutic outcome
spellingShingle Longming Chen
Kaili Jiang
Yuanyuan Liu
Mengran Song
Yibo Zhao
Chengyang Tian
Yahan Zhang
Ziliang Zhang
Xiang Yu
Junhai Xiao
Junyi Chen
Zheng Yong
Chunju Li
Qingbin Meng
Supramolecular Brake for Slowing Fentanyl Into Brain to Ameliorate Its Therapeutic Outcome
SmartMat
fentanyl
host–guest complexation
supramolecular brake
terphen[3]arene sulfate
therapeutic outcome
title Supramolecular Brake for Slowing Fentanyl Into Brain to Ameliorate Its Therapeutic Outcome
title_full Supramolecular Brake for Slowing Fentanyl Into Brain to Ameliorate Its Therapeutic Outcome
title_fullStr Supramolecular Brake for Slowing Fentanyl Into Brain to Ameliorate Its Therapeutic Outcome
title_full_unstemmed Supramolecular Brake for Slowing Fentanyl Into Brain to Ameliorate Its Therapeutic Outcome
title_short Supramolecular Brake for Slowing Fentanyl Into Brain to Ameliorate Its Therapeutic Outcome
title_sort supramolecular brake for slowing fentanyl into brain to ameliorate its therapeutic outcome
topic fentanyl
host–guest complexation
supramolecular brake
terphen[3]arene sulfate
therapeutic outcome
url https://doi.org/10.1002/smm2.70020
work_keys_str_mv AT longmingchen supramolecularbrakeforslowingfentanylintobraintoameliorateitstherapeuticoutcome
AT kailijiang supramolecularbrakeforslowingfentanylintobraintoameliorateitstherapeuticoutcome
AT yuanyuanliu supramolecularbrakeforslowingfentanylintobraintoameliorateitstherapeuticoutcome
AT mengransong supramolecularbrakeforslowingfentanylintobraintoameliorateitstherapeuticoutcome
AT yibozhao supramolecularbrakeforslowingfentanylintobraintoameliorateitstherapeuticoutcome
AT chengyangtian supramolecularbrakeforslowingfentanylintobraintoameliorateitstherapeuticoutcome
AT yahanzhang supramolecularbrakeforslowingfentanylintobraintoameliorateitstherapeuticoutcome
AT ziliangzhang supramolecularbrakeforslowingfentanylintobraintoameliorateitstherapeuticoutcome
AT xiangyu supramolecularbrakeforslowingfentanylintobraintoameliorateitstherapeuticoutcome
AT junhaixiao supramolecularbrakeforslowingfentanylintobraintoameliorateitstherapeuticoutcome
AT junyichen supramolecularbrakeforslowingfentanylintobraintoameliorateitstherapeuticoutcome
AT zhengyong supramolecularbrakeforslowingfentanylintobraintoameliorateitstherapeuticoutcome
AT chunjuli supramolecularbrakeforslowingfentanylintobraintoameliorateitstherapeuticoutcome
AT qingbinmeng supramolecularbrakeforslowingfentanylintobraintoameliorateitstherapeuticoutcome