Results 131 to 140 of about 96,143 (246)

Cyanoacetamidobetaine—A Zwitterionic Nitrile Derivative

ChemistryOpen, Volume 15, Issue 4, April 2026.
The reaction of sodium dicyanamide with betainium chloride in aqueous solution affords N‐cyano‐2‐(trimethylammonio)acetaminide (cyanoacetamidobetaine). Single crystal X‐ray diffraction reveals a monoclinic structure comprising a trimethylammonium head group connected to a cyanoacetaminide unit via a methylene bridge.
Pan Duan, Julia‐Maria Hübner, Florian Puls, Vitaliy Romaka, Hans‐Joachim Knölker, Michael Ruck   +5 more
wiley   +1 more source

Computational Evaluation of Statin Analogs Targeting HMG‐CoA Reductase for Coronary Artery Disease Treatment

ChemistryOpen, Volume 15, Issue 4, April 2026.
Molecular dynamics analysis of novel statin analogs shows that binding induces superior stabilization of HMG‐CoA reductase. As shown by the solvent‐accessible surface area profile, ligand‐induced rigidity offers a new, effective strategy for drug design. Cardiovascular diseases remain a leading cause of global mortality.
Yoshua B. Mtulo, Geradius Deogratias, James E. Mgaya, Andrew S. Paluch, Lucas Paul   +4 more
wiley   +1 more source

Synthesis of Pyrido[2,3‐d]Azolopyrimidinones: Design and Epidermal Growth Factor Receptor‐Targeted Molecular Docking Toward Novel Anticancer Leads

ChemistryOpen, Volume 15, Issue 4, April 2026.
New pyrido[2,3‐d]azolopyrimidinones were synthesized and evaluated as potent EGFR‐targeted anticancer leads. Molecular docking and cytotoxicity studies revealed strong receptor binding and submicromolar activity, highlighting this scaffold as a promising framework for future targeted drug development.
Sobhi M. Gomha, Sami A. Al‐Hussain, Basant Farag, AbdElAziz A. Nayl, Wesam Hussein, Abdelwahed R. Sayed, Magdi E. A. Zaki   +6 more
wiley   +1 more source

The Potential of Digital Twins for Pediatric Rare Diseases

CPT: Pharmacometrics &Systems Pharmacology, Volume 15, Issue 4, April 2026.
ABSTRACT Rare diseases affect over 300 million people globally, with approximately 75% manifesting in childhood. Their diagnosis is often delayed and approved treatments are lacking for most of the conditions. Pediatric rare diseases research is further complicated by ethical constraints and developmental diversity across childhood.
Rahuman S. Malik‐Sheriff, Anurag Limdi, Evangelia Petsalaki, Henning Hermjakob, Ellen M. McDonagh   +4 more
wiley   +1 more source

TXCA‐Mediated Synthesis of Halogenated 4‐Aminocoumarins Derivatives Under Mild Conditions and In Silico Evaluation Against Alzheimer's Disease‐Related Protein Targets

ChemistrySelect, Volume 11, Issue 16, 27 April 2026.
A green and sustainable protocol for the halogenation of 4‐aminocoumarins using trihaloisocyanuric acids was developed, affording compounds with the predicted potential to inhibit protein targets associated with Alzheimer's disease. ABSTRACT A highly efficient and selective protocol for the halogenation of the C─H bond of 4‐aminocoumarin derivatives is
Maryelle A. G. de Carvalho, Vinicius C. Alves, Lara M. Flores, Carlos V. Doerner, Tácia K. Hall, Cristiani F. Bortolatto, Louis P. Sandjo, José S. S. Neto, Antonio L. Braga, Francisco F. de Assis   +9 more
wiley   +1 more source

The potential of Mitragyna speciosa leaves as a natural source of antioxidants for disease prevention

Journal of Integrative Bioinformatics
Mitragyna speciosa is famous for its addictive effect. On the other hand, this plant has good potential as an antioxidant agent, and so far, it was not explicitly explained what the most contributing compound in the leaves to that activity is. This study
Arief Ihsanul, Sunnardianto Gagus Ketut, Khairi Syahrul, Saputri Wahyu Dita   +3 more
doaj   +1 more source

Artificial intelligence streamlines scientific discovery of drug–target interactions

British Journal of Pharmacology, Volume 183, Issue 8, Page 1673-1690, April 2026.
Abstract Drug discovery is a complicated process through which new therapeutics are identified to prevent and treat specific diseases. Identification of drug–target interactions (DTIs) stands as a pivotal aspect within the realm of drug discovery and development. The traditional process of drug discovery, especially identification of DTIs, is marked by
Yuxin Yang, Feixiong Cheng
wiley   +1 more source

From Pharmacovigilance Signals to Mechanistic Phenotypes: Integrating ADMET, PK/PD, and Network Context to Interpret Antiviral Safety in Pregnancy. [PDF]

Pharmaceuticals (Basel)
Costa B, Vale N.
europepmc   +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

A review on integrated machine learning and deep learning driven artificial intelligence models for pharmacokinetics and toxicokinetics predictions, and their application. [PDF]

Drug Metab Dispos
M M, S M, Kate SS, Taneja I, Jaiswal S, Pratap B, Rathi PC, Thakur S, Paul D, Wahajuddin M.   +9 more
europepmc   +1 more source