Results 121 to 130 of about 25,555 (231)

Identification of a peptide inhibitor disrupting the PCSK9-LDLR interaction <i>via</i> pharmacophore-based virtual screening, molecular dynamics simulations and <i>in vitro/vivo</i> evaluation. [PDF]

J Enzyme Inhib Med Chem
Wu W, Yang S, Liu J, Wang Y, Pan D, Zhou Y.   +5 more
europepmc   +1 more source

The NLRP3 Inflammasome: Mechanisms of Activation, Regulation, and Therapeutic Opportunities

MedComm, Volume 7, Issue 3, March 2026.
Diverse diseases converge on NLRP3. We depict a discovery‐to‐clinic track: high‐throughput/phenotypic screens, structure‐guided design, and modality innovation (allosteric inhibitors, interface blockers, degraders) deliver third‐generation, disease‐tailored NLRP3 control.
Chan Zou, Shilong Jiang, Hui Li, Kai Zhao, Dongshen Cao, Guoping Yang   +5 more
wiley   +1 more source

Identification of novel HIF2α inhibitors: a structure-based virtual screening approach. [PDF]

J Enzyme Inhib Med Chem
Zhou S, Yin S, Yang S, Wang Y, Feng P.
europepmc   +1 more source

The Contribution of Cholesterol and Squalene Synthase in Cancer: Molecular Mechanisms, Lipid Rafts and Therapeutic Approaches

Medicinal Research Reviews, Volume 46, Issue 2, Page 352-381, March 2026.
ABSTRACT A plethora of cellular signaling pathways are dysregulated in cancer cells, promoting carcinogenesis and migration. Cholesterol has recently been linked to cancer by several subcellular mechanisms, especially by its involvement in the formation of lipid rafts, which promote oncogenic signaling and cancer cell invasion. Squalene synthase (SQS),
Danai Mavridi, Theodora Katavati, Angeliki P. Kourounakis   +2 more
wiley   +1 more source

Deploying the high-throughput virtual screening (HTVS) approach for the identification of new lactate dehydrogenase (LDH) inhibitors with anticancer assets. [PDF]

Sci Rep
Huang Y, Benni S, Yadav UP, Babu MA, Verma A, Singh TG, Bansal N, Zhang Y.   +7 more
europepmc   +1 more source

Light‐Based Molecular Tools to Precisely Monitor and Operate β‐Adrenoceptors

Medicinal Research Reviews, Volume 46, Issue 2, Page 445-474, March 2026.
ABSTRACT β‐Adrenoceptors are important G protein–coupled receptors involved in cardiovascular, metabolic, and neurological regulation. To study their function with high precision, light‐based molecular tools have been developed offering precise spatiotemporal control.
Ignazzitto Maria Tindara, Gómez‐Santacana Xavier, Llebaria Amadeu, Rovira Xavier   +3 more
wiley   +1 more source

Multicomplex Pharmacophore Modeling of Estrogen Receptors Suggests the Probable Repurposing of Procaterol as an Antiproliferative Agent Against Breast Cancer Cells. [PDF]

Int J Mol Sci
Vazquez-Mendoza LH, Mendoza-Figueroa HL, Jacobo-Herrera NJ, Bakalara N, González-Juárez DE, Correa-Basurto J, García-Vázquez JB.   +6 more
europepmc   +1 more source

ROC‐325 Attenuates Hypoxia‐Induced Pulmonary Hypertension Through Dual Inhibition of Autophagy and Hypoxia‐Inducible Factor 2α Signaling

MedComm – Future Medicine, Volume 5, Issue 1, March 2026.
In hypoxia‐induced pulmonary hypertension, endothelial HIF‐2α accumulation and autophagic activation drive vascular remodeling. We demonstrate that the novel lysosomal inhibitor ROC‐325 simultaneously attenuates this pathogenic autophagy and promotes HIF‐2α degradation.
Changlei Bao, Shuxin Liang, Dingyuan Liu, Xingting Wang, Dan Bai, Chuangjia Huang, Hanliang Sun, Zi Yang, Bitao Wu, Zixuan Chen, Jieyi Feng, Zinan Luo, Jintao Long, Jinsheng Zhu, June Bai, Li Zhang, Aiai Chu, Caojin Zhang, Haiyang Tang   +18 more
wiley   +1 more source

A Multistep Computational Approach to Achieve a Complete Human 5‐Lipoxygenase Structure and Provide a Pharmacophore Model for Further Drug Design

Molecular Informatics, Volume 45, Issue 3, March 2026.
Starting from incomplete structural information of 5‐lipoxygenase (5‐LOX), a multistep computational pipeline in silico led to powerful tools for the rational design and identification of novel chelator inhibitors. A reconstruction of the first full‐length 5‐LOX was performed and used to apply docking studies to enable to create a pharmacophore model ...
Lisa Lombardo, Francesco Agnello, Rosaria Gitto, Laura De Luca   +3 more
wiley   +1 more source

Development of DHODH inhibitors incorporating virtual screening, pharmacophore modeling, fragment-based optimization methods, ADMET, molecular docking, molecular dynamics, PCA analysis, and free energy landscape. [PDF]

PLoS One
Wang Q, Xu YH, Jiang H, Deng B, Liang Z.
europepmc   +1 more source