Results 101 to 110 of about 25,555 (231)

Modulation of Tau Protein Neurotoxic Hallmarks by Novel σ1R Agonists/HDAC Inhibitor Dual‐Acting Compounds

ChemMedChem, Volume 21, Issue 5, 13 March 2026.
This study explores the development of dual‐acting compounds combining σ1R agonists and histone deacetylase inhibitors (HDACi). Key findings include compound 2d and 3a's high affinity for σ1R and favorable pharmacokinetic profile and an in vivo determined σ1R agonist profile by reversing the effect of the σ1R antagonist BD‐1063.
Antonino N. Fallica, Carla Barbaraci, M. Carmen Ruiz‐Cantero, Arianna Scarlatti, Alessandro Coco, Giorgia Giordano, Alfonsina La Mantia, Orazio Prezzavento, Antonio Di Stefano, Ivana Cacciatore, Giacomo Siano, Antonino Cattaneo, Lorella Pasquinucci, Enrique J. Cobos, Cristina Di Primio, Emanuele Amata, Agostino Marrazzo   +16 more
wiley   +1 more source

Targeting Expanded CUG and CTG Repeats as a Therapeutic Approach for Myotonic Dystrophy Type 1 (DM1)

ChemMedChem, Volume 21, Issue 5, 13 March 2026.
DM1 is an RNA gain‐of‐function disease caused by CTG repeat expansion, producing toxic r(CUG)exp RNA that sequesters MBNL1 and impairs splicing. This review covers the field of CUG and CTG ligands identified or rationally designed as DM1 drug candidates, highlighting their molecular design, RNA‐ or DNA‐binding modes, in vitro affinities and ...
Camille Richagneux, Anton Granzhan
wiley   +1 more source

Quinic Acid and Synthetic Derivatives in Medicinal Chemistry

ChemMedChem, Volume 21, Issue 5, 13 March 2026.
Quinic acid and its derivatives are gaining recognition as versatile scaffolds in drug discovery. This review explores their emerging roles in inflammation, infection, cancer, and metabolic disorders, highlighting recent advances that position them beyond chlorogenic acids as promising platforms for therapeutic innovation. Quinic acid (QA) is a natural
Iago C. Vogel, Manuel J. Verganista, Nuno R. Candeias   +2 more
wiley   +1 more source

Learned Conformational Space and Pharmacophore Into Molecular Foundational Model

Advanced Science, Volume 13, Issue 17, 23 March 2026.
The Ouroboros model introduces two orthogonal modules within a unified framework that independently learn molecular representations and generate chemical structures. This design enables flexible optimization strategies for each module and faithful structure reconstruction without prompts or noise.
Lin Wang, Yifan Wu, Hao Luo, Minglong Liang, Yihang Zhou, Cheng Chen, Chris Liu, Jun Zhang, Yang Zhang   +8 more
wiley   +1 more source

Spectral Decomposition of Chemical Semantics for Activity Cliffs‐Aware Molecular Property Prediction

Advanced Science, Volume 13, Issue 13, 3 March 2026.
PrismNet mimics chemical intuition by functioning as a computational prism, refracting molecular graphs into complementary semantic views and spectral frequencies. This dual‐decomposition strategy effectively captures both global topologies and subtle “activity cliff” perturbations.
Chaoyang Xie, Junhu Xu, Guangyi Huang, Shihang Wang, Mutian He, Xinyu Dong, Huiyang Hong, Xiaojun Yao, Qi Wang, Yuquan Li   +9 more
wiley   +1 more source

Multi‐View Biomedical Foundation Models for Molecule‐Target and Property Prediction

Advanced Science, Volume 13, Issue 14, 9 March 2026.
Molecular foundation models can provide accurate predictions for a large set of downstream tasks. We develop MMELON, an approach that integrates pre‐trained graph, image, and text foundation models and validate our multi‐view model on over 120 tasks, including GPCR binding.
Parthasarathy Suryanarayanan, Yunguang Qiu, Shreyans Sethi, Diwakar Mahajan, Hongyang Li, Yuxin Yang, Elif Eyigoz, Aldo Guzmán‐Sáenz, Daniel E. Platt, Timothy H. Rumbell, Kenney Ng, Sanjoy Dey, Myson Burch, Bum Chul Kwon, Pablo Meyer, Feixiong Cheng, Jianying Hu, Joseph A. Morrone   +17 more
wiley   +1 more source

Learned Conformational Space and Pharmacophore Into Molecular Foundational Model (Adv. Sci. 17/2026)

Advanced Science, Volume 13, Issue 17, 23 March 2026.
Molecular Foundational Model The Ouroboros model introduces two orthogonal modules within a unified framework that independently learn molecular representations and generate chemical structures. This design enables flexible optimization strategies for each module and faithful structure reconstruction without prompts or noise.
Lin Wang, Yifan Wu, Hao Luo, Minglong Liang, Yihang Zhou, Cheng Chen, Chris Liu, Jun Zhang, Yang Zhang   +8 more
wiley   +1 more source

Screening of peptide inhibitors targeting YAP-TEAD4 interaction: affinity evaluation and anti-AML cell activity. [PDF]

J Enzyme Inhib Med Chem
Yang X, Yang S, Lin G, Chen S, Jiang H, Wang Y, Zhang Y, Zhang X.   +7 more
europepmc   +1 more source

Exploring Novel Nitrofuryl‐1,3,4‐Thiadiazole‐Based Derivatives: Design, Synthesis, and Evaluation of In Vitro Leishmanicidal and Trypanocidal Activity

Archiv der Pharmazie, Volume 359, Issue 3, March 2026.
In a series of substituted 1‐[5‐(5‐nitrofuran‐2‐yl)‐1,3,4‐thiadiazol‐2‐yl]piperidine‐4‐carboxamides evaluated for in vitro antileishmanial and antitrypanosomal activity, compound 18 emerged as the most promising derivative, showing submicromolar anti‐parasitic effects targeting diverse Leishmania and Trypanosoma species and acceptable selectivity ...
Alireza Mousavi, Martina Slapničková, Maryam Norouzbahari, Sarah D'Alessandro, Parham Foroumadi, Fariba Peytam, Federica Perego, Eva Doleželová, Zahra Emamgholipour, Maliheh Barazandeh Tehrani, Seyed Esmaeil Sadat‐Ebrahimi, Elahe Hosseinzadeh, Elmira Meghrazi Ahadi, Loghman Firoozpour, Hamidreza Bijanzadeh, Nicoletta Basilico, Alena Zíková, Alireza Foroumadi   +17 more
wiley   +1 more source

Pharmacophore-Based Identification and Molecular Characterization of Potent Neprilysin Inhibitors: Biochemical and Therapeutic Implications for Cardiovascular Diseases. [PDF]

Chem Biol Drug Des
Kuo CT, Wu YC, Li JM, Ju TC, Tseng TS.
europepmc   +1 more source