Results 61 to 70 of about 1,303 (119)

Understanding Water Activity in Deep Eutectic Solvents: Experimental Screening, Thermodynamic Modeling, and QSAR Predictions

open access: yesChemistrySelect, Volume 11, Issue 21, 4 June 2026.
Water activity (aw) was measured in eight DESs (10–90 wt% water). Strong DES–water interactions persist to ∼50 wt%, after which structure collapses toward aqueous‐like behavior. Redlich–Kister, Wilson, and COSMO‐RS models showed limited performance, whereas QSAR modeling using COSMOtherm‐derived σ‐profile descriptors significantly improved aw ...
Marko Rogošić   +6 more
wiley   +1 more source

The Stoichiometry of TCNQ-Based Organic Charge-Transfer Cocrystals

open access: yesCrystals, 2020
Organic charge-transfer cocrystals (CTCs) have attracted significant research attention due to their wide range of potential applications in organic optoelectronic devices, organic magnetic devices, organic energy devices, pharmaceutical industry, etc ...
Jiaoyang Gao   +3 more
doaj   +1 more source

Structure and intermolecular interactions of the rare amide–pyridine synthon: a cocrystal of nicotinamide and 2‐chloro‐3‐hydroxypyridine

open access: yesActa Crystallographica Section C, Volume 82, Issue 6, Page 267-276, June 2026.
Considering its low occurrence in the Cambridge Structural Database, is the amide–pyridyl synthon easy to form, and what structural factors affects its interaction energy and its subsequent formation?Nicotinamide (Nico) and derivatives of pyridine are important materials in both the pharmaceutical and agrochemical industries.
Oluwatoyin Akerele, Andreas Lemmerer
wiley   +1 more source

The evolving role of structural biology in pharma: integration of X‐ray crystallography, cryo‐electron microscopy and beyond

open access: yesActa Crystallographica Section D, Volume 82, Issue 6, Page 587-602, June 2026.
This review describes how an integrated structural biology platform at Merck Sharp & Dohme LLC, Rahway, New Jersey, USA, combining X‐ray crystallography, cryo‐EM, MicroED and cryo‐ET, enables seamless three‐dimensional insights from molecular to cellular length scales.
Jill E. Chrencik   +44 more
wiley   +1 more source

Development of a Lysine‐Reactive Targeted Covalent Inhibitor for the P300/CBP‐Associated Factor Bromodomain Through Structure‐Based Design

open access: yesChemMedChem, Volume 21, Issue 10, 27 May 2026.
We developed a targeted covalent inhibitor for the p300/CBP‐associated factor (PCAF) bromodomain. Our lead molecule, 10, labeled a unique lysine residue in the PCAF bromodomain, demonstrated potent inhibition in biophysical/biochemical assays, and engaged the PCAF bromodomain in cells.
Richard R. Ede   +9 more
wiley   +1 more source

Improving Nefiracetam Dissolution and Solubility Behavior Using a Cocrystallization Approach

open access: yesPharmaceutics, 2020
In this work, we are the first to identify thirteen cocrystals of Nefiracetam, a poor water-soluble nootropic compound. Three of which were obtained with the biocompatible cocrystallization agents citric acid, oxalic acid, and zinc chloride. These latter
Xavier Buol   +6 more
doaj   +1 more source

Acemetacin cocrystal structures by powder X-ray diffraction

open access: yesIUCrJ, 2017
Cocrystals of acemetacin drug (ACM) with nicotinamide (NAM), p-aminobenzoic acid (PABA), valerolactam (VLM) and 2-pyridone (2HP) were prepared by melt crystallization and their X-ray crystal structures determined by high-resolution powder X-ray ...
Geetha Bolla   +2 more
doaj   +1 more source

Recent Advances in Pharmaceutical Cocrystals: From Bench to Market. [PDF]

open access: yesFront Pharmacol, 2021
Kumar Bandaru R   +6 more
europepmc   +1 more source

Vibrational Spectroscopy for Cocrystals Screening. A Comparative Study

open access: yesMolecules, 2018
A recurrent problem faced by the pharmaceutical industry when formulating drug products concerns poorly soluble drugs, which, despite having desirable pharmacological activity, present limited bioavailability.
Marisa Rodrigues   +2 more
doaj   +1 more source

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