北京若生智能科技有限公司
Drug Database
BE

bexarotene (Targretin Gel)

✓ Approved

Eisai Co., Ltd. · RXRA · 小分子

什么是 bexarotene？

bexarotene 是一种小分子，由Eisai Co., Ltd.研发。该药已获批，用于治疗相关适应症，给药途径：Topical。

药物档案

商品名Targretin Gel
公司Eisai Co., Ltd.
药物类别小分子
分子靶点RXRA, RXRB, RXRG
给药途径Topical
状态Approved
来源： ClinicalTrials.gov, Eisai Co., Ltd.

作用机制

分子靶点

bexarotene 作用于 3 个分子靶点：

RXRAretinoid X receptor alpha (RXR-alpha, RXRalpha)
RXRBretinoid X receptor beta (DAUDI6, H-2RIIBP)
RXRGretinoid X receptor gamma (RXR-gamma, RXRC)
需要更深入的分析？Noah AI 可解释复杂机制并与同类药物比较。

治疗适应症

bexarotene 针对 1 个适应症，涉及 1 个治疗领域。

治疗领域疾病/病症分期
Neoplasms benign, malignant and unspecified (incl cysts and polyps)Cutaneous T-cell lymphoma✓ Approved

相关研究文献

PubMedJournal of chemical information and modeling2026-10-26

CHARMM-GUI Covalent Ligand Docker as a Web-Based Molecular Docking Platform for Covalent Ligands.

Kong Lingyang L, Suh Donghyuk D, Im Wonpil W

Covalent inhibitor research is an emerging topic in drug discovery because of its superior performance in specificity and inhibition effects. While molecular docking is a popular strategy in predicting and assessing ligand conformations or poses in receptor proteins, covalent ligand docking requires nontrivial preparation efforts as the ligand structure changes during the covalent complex formation. In order to facilitate molecular docking for covalent ligands, we have developed CHARMM-GUI Covalent Ligand Docker (CGUI-CLD), a new module for covalent ligand docking supported by AutoDock4. CGUI-CLD automates ligand preparation, supports ligand modification, implements docking simulations, and presents results through an intuitive user interface. A knowledge-based library built in CGUI-CLD currently supports 66 warheads and 8 amino acids, which can be used to automate the covalent ligand transformation from a prereaction to a postreaction adduct form seamlessly. Moreover, CHARMM-GUI High-Throughput Simulator is integrated for rapid generation of multiple molecular dynamics simulation systems. CGUI-CLD is expected to significantly reduce the unnecessary workload of covalent ligand docking and advance covalent ligand research.

PMID 42929572
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PubMedGels (Basel, Switzerland)2026-10-26

Development and Optimization of a Lupeol-Loaded Bilosomal Gel for Enhanced Topical Therapy of Imiquimod-Induced Psoriasis.

Hamza Mohammad M, Samanta Soumya S, Khan Mohammed Faheem MF, Roy Supriya S et al.

Lupeol, a naturally occurring pentacyclic triterpenoid, exhibits potent anti-inflammatory and antioxidant activities, making it a promising candidate for psoriasis treatment. However, its poor aqueous solubility and limited skin permeation restrict its therapeutic application. This study aimed to develop and optimize a lupeol-loaded bilosomal gel to enhance topical delivery and improve anti-psoriatic efficacy. Lupeol-loaded bilosomes were prepared using the thin-film hydration method and optimized through a Box-Behnken experimental design. The optimized formulation was characterized for vesicle size, entrapment efficiency, drug release, and physicochemical properties before incorporation into a Carbopol® 934P gel. The bilosomal gel was further evaluated through in vitro drug release, ex vivo skin permeation, and in vivo efficacy in an imiquimod-induced psoriasis-like mice model. The optimized bilosomes exhibited nanoscale vesicles, high drug entrapment, and sustained drug release. Incorporation into the gel produced a formulation with suitable physicochemical characteristics and significantly enhanced skin permeation compared with a conventional gel. In vivo, the bilosomal gel markedly reduced Psoriasis Area and Severity Index (PASI) scores, spleen index, and TNF-α levels while restoring normal skin histology. These findings demonstrate that bilosomal encapsulation substantially improves the topical delivery and therapeutic efficacy of lupeol, highlighting the developed bilosomal gel as a promising nanocarrier-based strategy for the topical management of psoriasis.

PMID 42929952
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PubMedGels (Basel, Switzerland)2026-10-26

Nano-SiO2/Polymer Composite Gel Fluid-Loss Reducer for High-Temperature, Salt-Resistant Water-Based Drilling Fluids: Performance and Mechanism.

Liu Luman L, Liu Jingping J, Geng Yuan Y, Wang Ren R et al.

Polymeric gel fluid-loss reducers for water-based drilling fluids often undergo performance deterioration under combined high-temperature and high-salinity conditions. In this study, an organic-inorganic nanocomposite gel fluid-loss reducer, SiO2@P-DAS, was synthesized through aqueous free-radical polymerization using N,N-dimethylacrylamide, 2-acrylamido-2-methylpropane sulfonic acid, sodium styrene sulfonate, and KH-570-modified nano-SiO2. The corresponding polymer gel without nano-SiO2, P-DAS, was used as the control. FTIR results were consistent with the presence of modified nano-SiO2 in the composite gel. Thermogravimetric analysis showed that its initial decomposition temperature increased from 245 °C for P-DAS to 252 °C for SiO2@P-DAS. At a concentration of 3.0 wt%, the post-aging API filtrate volume of SiO2@P-DAS was 3.8 mL, compared with 4.8 mL for P-DAS after aging at 220 °C for 16 h. Under HTHP conditions of 220 °C and 3.5 MPa, the corresponding filtrate volumes were 33.33 and 49.67 mL, respectively. SiO2@P-DAS also maintained lower fluid loss under NaCl and CaCl2 contamination. At 5 wt% CaCl2, its post-aging API filtrate volume was 6.8 mL, 58.0% lower than that of P-DAS. In weighted drilling fluids with densities of 1.4-2.0 g/cm3, the post-aging API and HTHP filtrate volumes remained within 2.4-3.2 and 24.6-26.2 mL, respectively. Zeta-potential, particle-size, and filter-cake observations suggest that polymer adsorption and hydration, together with the contribution of modified nano-SiO2 to particle packing and filter-cake continuity, improve filtration control. These results demonstrate the potential of SiO2@P-DAS as a nanocomposite gel fluid-loss reducer for high-temperature and salt-contaminated water-based drilling fluids.

PMID 42929929
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PubMedGels (Basel, Switzerland)2026-10-26

Confined Mg2+-Directed Interfacial Evolution of Primary Structural Units of Mg-MOF-74 on Platelet Clinoptilolite for CO2/CH4, CH4/N2, and CO2/N2 Separations.

Sun Nan N, Ma Tiejun T, Liu Shengquan S, Munir Tallat T et al.

Controlling MOF nucleation on zeolite surfaces remains challenging when metal ions are freely supplied in solution, often resulting in poorly regulated interfaces. Herein, Mg2+-exchanged platelet clinoptilolite (Mg-PCP) was used as a confined metal source to direct the in situ growth of Mg-MOF-74-related sol-gel species (primary structural units, abbreviated as PSUs) without adding external Mg2+ salts. Using 2,5-dihydroxyterephthalic acid (DHTA) as a ligand, the structure features of the prepared PSU@Mg-PCPs revealed the progressive evolution of the disordered Mg-DHTA coordination species into locally ordered, unsaturated Mg-MOF-74-related interfacial subunits, accompanied by gradual interfacial roughening and coordination ordering. The evolving interfaces regulated the adsorption and separation behaviors of CO2, CH4, and N2. At 298 K, PSU@Mg-PCP-10 exhibited apparent CO2/CH4 and CO2/N2 separation factors of 24.23 and 15.01, respectively, higher than those of Mg-PCP (7.83 and 9.01). Meanwhile, PSU@Mg-PCP-180 achieved the highest CO2 uptake of 1.60 mmol g-1 at 273 K. Grand canonical Monte Carlo simulations indicated that the separation behaviors originated from the combined effects of micropore blockage and preferential CO2 adsorption at Mg2+ sites and newly formed interfacial regions. This confined-metal-source strategy provides a metal-efficient route for tailoring zeolite-MOF interfaces and tuning gas-separation performance.

PMID 42929936
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PubMedNucleic acids research2026-10-26

SMARTFlexDB: a paired apo-holo RNA structure database and analysis platform for RNA conformational flexibility and small-molecule recognition.

Jiang Shiyu S, Wei Jinhang J, Taghavi Amirhossein A, Seabra Gustavo G et al.

RNA structures can undergo substantial conformational changes upon small-molecule binding, yet existing structural resources provide only static RNA-ligand snapshots without connecting ligand-bound (holo) RNA structures to corresponding ligand-free (apo) conformations. SMARTFlexDB is a curated database and analysis platform that uses paired apo-holo RNA structures to characterize conformational differences and RNA-small molecule recognition. Candidate pairs were identified from the Protein Data Bank by matching RNA chains with at least 90% sequence identity and coverage, and fully conserved binding pocket nucleotides. The current release contains 434 binding pockets from 266 holo structures, linked to 186 apo structures to yield 1187 pocket-level apo-holo pairs organized into 734 database entries, spanning 150 small molecules and 23 RNA functional classes. Each entry integrates RNA sequence and secondary-structure annotations, apo and holo three-dimensional structures, RNA-ligand atomic interactions, and quantitative descriptors of global and local conformational changes. An interactive web interface enables users to explore sequence alignments and structural overlays, compare secondary structures and RNA motifs, and upload paired apo-holo structures for customized analysis. By linking ligand-bound and ligand-free RNA structures, SMARTFlexDB provides a robust foundation for investigating RNA structural flexibility and supporting RNA-targeted small-molecule drug discovery. The database and analysis platform are available at https://aidd.rc.ufl.edu/app/smartflexdb/.

PMID 42929196
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PubMedGels (Basel, Switzerland)2026-10-26

Research Progress of Polyacrylamide Gels for Oilfield Applications: A Systematic Review.

Dong Ruiqiang R, Chen Guanyu G, Li Daoyong D, Cui Xinyue X et al.

In the middle-to-late stage of reservoir development, widespread high-permeability channeling exacerbates ineffective water circulation and impairs crude oil recovery. This work explores polyacrylamide (PAM) gels intended for oilfield profile control and water shut-off. It comprehensively compares gelation behaviors and performance metrics of diverse cross-linking and modification strategies, and pinpoints critical unresolved research gaps. Four representative PAM-gel systems are analyzed in detail, including organic-crosslinked, metal-crosslinked, nano-composite-modified, and delayed-crosslinker formulations. The results show that polyethyleneimine (PEI) cross-linked gels achieve a storage modulus of 780 kPa at 110 °C, which is superior to the conventional hydroquinone-hexamethylenetetramine (HQ-HMTA) system. Metal-crosslinked gels are prone to syneresis and structural instability above 70 °C. Nanocomposite modification significantly enhances gel comprehensive properties: nano-silica improves thermal resistance to 155.5 °C; modified nano-graphite doubles storage modulus (G'), shortens gelation time by half, and maintains 76.5% of initial modulus after 60-day aging at 130 °C; TOCN-reinforced gels preserve structural integrity under high-salinity environments at 140 °C for 108 h. Delayed-release cross-linkers can extend gelation time up to 17 days to meet the demands of deep in situ profile control. Furthermore, the emerging data-driven paradigm of artificial-intelligence-assisted gel optimization is also reviewed, together with its current limitations. Future research priorities cover intelligent responsive gel materials, environmentally benign cross-linkers, and unified evaluation specifications for heterogeneous reservoirs. This paper reviews over 100 core publications from 2000 to 2026 based on the Web of Science and Engineering Village databases. Different from existing studies, this work emphasizes the molecular crosslinker mechanisms, nanomodification reinforcement, and field performance variations of PAM gel systems, and concludes the major technical bottlenecks for their application in harsh reservoirs. Meanwhile, it quantitatively compares the performance of modified PAM gel formulations and clarifies the applicable temperature ranges of different crosslinker schemes, providing technical references for the development of PAM plugging agents for complex oil reservoirs.

PMID 42929937
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