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Bibliographic Details
Main Authors: Xu, Quan, Xiong, Yuan, Fang, Yanfen, Zhao, Bei, Yang, Biyu, Hao, Yu-Meng, Dai, Hong-Xia, Zhang, Xiangyang, Chen, Yi, Ge, Guang-Bo, Li, Xu-Wen
Format: Artículo científico
Language:en
Published: Journal of medicinal chemistry 2026
Subjects:
Online Access:https://pubmed.ncbi.nlm.nih.gov/41614618/
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Table of Contents:
  • Marine-Derived Bromotyrosine Alkaloids as Potent hCYP1B1 Inhibitors to Overcome Paclitaxel Resistance. Xu, Quan Xiong, Yuan Fang, Yanfen Zhao, Bei Yang, Biyu Hao, Yu-Meng Dai, Hong-Xia Zhang, Xiangyang Chen, Yi Ge, Guang-Bo Li, Xu-Wen Humans Drug Resistance, Neoplasm Paclitaxel Animals Alkaloids Structure-Activity Relationship Cell Line, Tumor Cytochrome P-450 CYP1B1 Tyrosine Mice Antineoplastic Agents Human cytochrome P450 1B1 (hCYP1B1) overexpression is strongly associated with tumor drug resistance, making it an attractive target for overcoming chemotherapeutic resistance. Screening of a marine natural product library identified purpuramine D () as a potent hCYP1B1 inhibitor (IC = 11.89 nM). SAR-guided optimization led to a methylated oxime derivative , which exhibited a nearly 10-fold improvement in activity (IC = 1.32 nM). Mechanistic studies revealed that competitively binds to the hCYP1B1 catalytic pocket, supported by inhibition kinetics ( = 0.72 μM) and molecular dynamics simulations. In live cells, inhibited hCYP1B1-mediated 17β-estradiol hydroxylation (IC = 2.21 μM) and reversed paclitaxel (PTX) resistance in both A549/PTX and H460/PTX cells (22.9-26.5-fold sensitization). , synergized antitumor effects with PTX in an A549/PTX xenograft model (41.1% tumor growth inhibition) without evident toxicity. Collectively, represents a novel marine-derived, metabolically stable hCYP1B1 inhibitor with high potential to reverse chemoresistance.