Results 121 to 130 of about 22,537 (233)

In Vitro Dissolution Profile of Nitazoxanide Oral Suspension: Applying an HPLC Method in Drug Solubility and Chemical Stability Studies, With a Direct Impact on In Vitro Release

SEPARATION SCIENCE PLUS, Volume 9, Issue 9, September 2026.
Proposal of a new in vitro dissolution method for nitazoxanide oral suspension, addressing critical aspects of the drug solubility and chemical stability. ABSTRACT Nitazoxanide is a broad‐spectrum prodrug widely used against protozoa, helminthes, and anaerobic bacteria.
Gabriele Cavalcante Rosa, Lilian Fanfa Machioli, Leonardo Capra Pezzi, Fábio de Souza Barbosa, Andreas S. L. Mendez   +4 more
wiley   +1 more source

Avoiding pitfalls when modelling ligands in macromolecular crystallography

Acta Crystallographica Section D, Volume 82, Issue 9, Page 1016-1029, September 2026.
Flawed protein–ligand X‐ray structures can misdirect drug discovery based on PDB‐deposited models. This review uses publicly available PDB examples to highlight potential pitfalls, from absent ligands to incorrect chemistry, and presents a practical validation approach to improve model reliability.The determination of protein–ligand complex structures ...
Oliver S. Smart, Andrew Sharff, Claus Flensburg, Clemens Vonrhein, Gérard Bricogne   +4 more
wiley   +1 more source

Functional screen for subtype specificity of voltage sensor–targeted Kv7 potentiators

British Journal of Pharmacology, Volume 183, Issue 17, Page 5372-5388, September 2026.
Background and Purpose Voltage‐gated Kv7 (potassium channel subfamily Q [KCNQ]) potassium channels are powerful modulators of neuronal excitability. ICA‐069673 is a N‐aryl benzamide drug that targets the voltage‐sensing domain (VSD) of Kv7.2 with strong selectivity over Kv7.3 or Kv7.5, but the molecular basis of this selectivity remains poorly ...
Richard Kanyo, Thomas M. Hammond, Alice W. Wang, Caroline K. Wang, Varun Aggarwal, Shawn M. Lamothe, Harley T. Kurata   +6 more
wiley   +1 more source

Iso‐ and Benzisothiazolinone Inhibitors of Monoacylglycerol Lipase: Exploring On‐Target Activity Through Scaffold Decoration and In Situ Warhead Generation

ChemMedChem, Volume 21, Issue 16, 27 August 2026.
We explore covalent allosteric targeting of MGL regulatory cysteines using iso‐ and benzisothiazolinone scaffolds. Combining mechanism‐based warhead release with structure‐guided scaffold decoration to improve molecular recognition, this study probes strategies to achieve selective on‐target engagement beyond the catalytic site. Monoacylglycerol lipase
Edoardo Rocca, Annalida Bedini, Laura Scalvini, Francesca Galvani, Riccardo Castelli, Lorenzo Sarcone, Adriano Recchia, Fabiola Fanini, Adren Tran, Silvia Rivara, Gilberto Spadoni, Daniele Piomelli, Marco Mor   +12 more
wiley   +1 more source

Schiff Base Derivatives of Benzothiazole and Benzamide as Promising Antimicrobial Agents: Integrated In Silico and In Vitro Evaluation. [PDF]

ChemMedChem
Ogunnupebi TA, Oduselu GO, Elebiju OF, Opebiyi OT, October N, Ajani OO, Adebiyi E.   +6 more
europepmc   +1 more source

Mapping Regioisomer-Dependent Buchwald-Hartwig C-N Coupling: Bromoimidazo[1,5-a]pyridines as a Model Electrophile Series. [PDF]

Molecules
Sotnik SO, Stetsenko SV, Pavliei IM, Brusylovets OA, Pokholenko OA, Grabchuk GP, Pashenko OY, Volochnyuk DM, Ryabukhin SV.   +8 more
europepmc   +1 more source

In silico and In vitro studies of EGFR kinase and Anilide derivatives as inhibitors against Breast Cancer. [PDF]

Biotechnol Notes
Parab MM, Gupta PP, Shetty S, Chhajed SS, Shukla G, Bapat K, Dasgupta D, Boruah P.   +7 more
europepmc   +1 more source

Editorial Board Members' Collection Series: QSAR and Computational Approaches to Drug Discovery. [PDF]

Int J Mol Sci
Torrens F, de Julián-Ortiz JV.
europepmc   +1 more source

ELECTROCHEMICAL REDUCTION OF BENZAMIDE AND THEIR O-HALO-DERIVATIVES AND P-HALO-DERIVATIVES IN NONAQUEOUS SOLVENTS

, 1994
The analysis of the polarographic, voltammetric and coulometric results shows that the overall reduction mechanism of benzamide occurs with the cleavage of the C-N bond.
DALLARI D, BENEDETTI, Luca, BORSARI, Marco, GRANDI G, FONTANESI, Claudio, GAVIOLI, Giovanna   +5 more
core  

MolCryst-MLIPs: A Machine-Learned Interatomic Potentials Database for Molecular Crystals. [PDF]

J Chem Theory Comput
Lahouari A, Ai S, Han J, Hoffstadt J, Höllmer P, Infante C, Jain P, Kadam S, Martirossyan MM, McCune A, Newton H, Paul SJ, Peña Ccoa WJ, Raghoonanan J, Sahu S, Tan O, Vergara A, Rogal J, Tuckerman ME.   +18 more
europepmc   +1 more source