Results 131 to 140 of about 25,555 (231)

The JAK/STAT Pathway in Cancer: From Molecular Mechanisms to Clinical Applications

MedComm – Oncology, Volume 5, Issue 1, March 2026.
Dysregulated JAK/STAT signaling and related genetic mutations are strongly associated with cancer progression, including promoting tumor proliferation, suppressing apoptosis, inducing immune suppression, participating in drug resistance. Based on the function of the JAK/STAT pathway in disease pathogenesis, numerous agents targeting the JAK/STAT ...
Yixing Liao, Qi Wei, Hongjun Song, Hao Zeng, Chang Qi, Yunchang Meng, Yuanyuan Zhang, Yuanyuan Zhang, Weimin Li, Yalun Li, Panwen Tian   +10 more
wiley   +1 more source

Dual Inhibition of COX‐2/5‐LOX Through Novel Hybrids of NSAIDs and Peptides: Insights from Molecular Dynamics Simulation and Per‐Residue Decomposition

ChemistryOpen, Volume 15, Issue 3, March 2026.
Hybrid NSAID–aminoacid molecules have demonstrated excellent activity in inhibiting the cyclooxygenase/lipoxygenase system. Accordingly, the present study describes the synthesis of molecules of this kind, examining their behavior via docking, molecular dynamics simulations and per‐residue energy decomposition analyses.
J. Carlos Jiménez‐Cruz, Ramón Guzmán‐Mejía, Pedro Navarro‐Santos, Hugo A. García‐Gutiérrez, Julio C. Ontiveros‐Rodríguez, Rafael Herrera‐Bucio, Verónica Cortés‐Muñoz, Judit A. Aviña‐Verduzco   +7 more
wiley   +1 more source

Unraveling the Link Between Azathioprine and Acute Pancreatitis: Integrating Network Toxicology, Machine Learning, and Mendelian Randomization

CPT: Pharmacometrics &Systems Pharmacology, Volume 15, Issue 3, March 2026.
ABSTRACT Azathioprine (AZA), a widely used immunosuppressant, can induce acute pancreatitis (AP), yet the underlying molecular mechanisms remain unclear. This study employed an integrative multiomics strategy—combining network toxicology, machine learning, Mendelian randomization (MR), and molecular docking—to elucidate the biological basis of AZA ...
Zhijun Xie, Hang Lei, Pengcheng Zhang, Zhi Li, Wenfu Tang   +4 more
wiley   +1 more source

cGAS-IFN-I responses by extracting nuclear DNA from dying cells via nucleocytosis. [PDF]

Nat Commun
Negishi H, Wada Y, Shirasaki Y, Hayashi T, Kubota Y, Iwasaki T, Kurosawa M, Ban T, Muto D, Suenaga Y, Kojima T, Matsuda Y, Irish SL, Dodo K, Suzuki T, Yamagishi M, Temizoz B, Yoshimori A, Kanai C, Nagasaki Y, Ohmuraya M, Tamura T, Iwama A, Inada T, Kuroda E, Kobiyama K, Toyama-Sorimachi N, Takekawa M, Coban C, Ishii KJ.   +29 more
europepmc   +1 more source

MFCN‐DDI: Capsule network based on multimodal feature for multitype drug–drug interaction prediction

Quantitative Biology, Volume 14, Issue 1, March 2026.
Abstract Precise prediction of drug–drug interactions (DDIs) is essential for pharmaceutical research and clinical applications to minimize adverse reactions, optimize therapies, and reduce costs. However, existing methods still face challenges in effectively integrating multidimensional drug features and fully utilizing edge features in molecular ...
Jiayi Lu, Yingying Jiang, Yuhan Fu, Mengdi Nan, Qing Ren, Jie Gao   +5 more
wiley   +1 more source

In silico-driven identification of potent CDK9 inhibitors through bioisosteric replacement and multi-stage virtual screening. [PDF]

Sci Rep
Amorim J, Altamirano L, de Souza DS, Li C, Ejaz SA, Arévalo JC.   +5 more
europepmc   +1 more source

Ensemble Docking of FDA‐Approved and Peruvian Phytochemicals Against Monkeypox Virus Telomere‐Binding Protein

ChemistrySelect, Volume 11, Issue 9, 5 March 2026.
ABSTRACT Monkeypox is a reemerging zoonotic disease that has been spreading worldwide. Different approaches are being conducted to find effective treatments for this disease. To accelerate therapeutic discovery, we propose telomere‐binding protein (TBP) as a potential drug target because of its important role during virus maturation.
Edinson Gervacio‐Villarreal, Georcki Ropón‐Palacios, Claudina Sancho, Jhon Pérez‐Silva, Kewin Otazu, Gustavo E. Olivos‐Ramirez, Karolyn Vega‐Chozo, Yaritza L. Ramirez‐Díaz, Manuel E. Chenet‐Zuta, Ivonne Navarro del Aguila, Mario De la Cruz Flores, Cinthia Aguiar, Ihosvany Camps   +12 more
wiley   +1 more source

<i>In silico</i> based exploration of natural and synthetic antidiabetic compounds: A comprehensive review of computational approaches. [PDF]

ADMET DMPK
Maulana AF, Sriwidodo S, Maksum IP, Rukayadi Y.   +3 more
europepmc   +1 more source

Pseudolaric Acid B Combats Drug‐Resistant Candida albicans Infection via Dual‐Action Mechanisms of Direct Antifungals and Vaginal Microbiota Restoration

Microbial Biotechnology, Volume 19, Issue 3, March 2026.
We propose a novel therapeutic approach against fungal infection: Pseudolaric acid B directly eradicates C. albicans via Erg11 inhibition and uniquely, restores vaginal microecological homeostasis by promoting probiotic lactobacilli, addressing both the pathogen and the dysbiotic environment.
Tianmeng Shao, Yunshan Zhang, Binqing Xue, Weihua Chu   +3 more
wiley   +1 more source

Target fishing: from "needle in haystack" to "precise guidance"--new technology, new strategy and new opportunity. [PDF]

Front Pharmacol
Chen J, Guo Y, Shao J, Guo M, Zhu X.
europepmc   +1 more source