Results 71 to 80 of about 2,679 (172)

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

ChemistrySelect, 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, Matija Cepanec, Anja Damjanović, Marijan Logarušić, Ana Jurinjak Tušek, Ivana Varenina, Marina Cvjetko Bubalo   +6 more
wiley   +1 more source

Spectral characterization and vibrational mode study of cocrystal of acetaminophen and aspirin based on terahertz/Raman spectroscopy combined with DFT theory calculation

Results in Chemistry
In recent years, pharmaceutical cocrystal has become a hot field in drug development, which improves the solubility, stability, and bioavailability of drugs.
Haofei Sun, Bo Peng, Xinyi Bai, Bo Su, Cunlin Zhang, Hailin Cui, Shengbo Zhang, Kai Li   +7 more
doaj   +1 more source

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

Acta 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, Hua-Poo Su, Yacob Gomez Llorente, Rachel L. Palte, Daniel J. Klein, Robert P. Hayes, Sadie P. Antine, Guilermo A. Asmar-Rovira, Nicole Bertoletti, Noel J. Byrne, Brittany L. Carroll, Ciro D. Cordeiro, Kaylynn Curfman, James Dutko, Michael J. Eddins, Thierry Fischmann, Barani Govindarajan, Corey W. Hecksel, Thu Ho, Kaspar Hollenstein, Mee Ra Hong, Alan Hruza, Andrii Ishchenko, Maru Jaime-Garza, Matt J. Jaremko, Hayley L. Knox, James Kostas, Harini Krishnamurthy, Ioannis Manolaridis, Cameron L. Noland, Andrea T. Partridge, Sangita B. Patel, Paul Reichert, John C. Reid, Catarina Felisberto-Rodrigues, Chitra A. Shintre, Jennifer M. Shipman, Elakkiya Tamilselvan, Morgan E. Walker, Susanne N. Walker, Renjing Wang, Katharine M. Wright, Tien-Jui Yen, Byung-Kuk Yoo, Sandra B. Gabelli   +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

ChemMedChem, 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, Kerstin E. Peterson, Richard K. Begyinah, Irin P. Tom, Jason M. Ochoada, Molly S. Sneddon, Ana Katrina Y. Tiu, Marcus Fischer, Anang A. Shelat, William C. K. Pomerantz   +9 more
wiley   +1 more source

Structural Characterization of Febuxostat/l-Pyroglutamic Acid Cocrystal Using Solid-State 13C-NMR and Investigational Study of Its Water Solubility

Crystals, 2017
Febuxostat (FB) is a poorly water-soluble drug that belongs to BCS class II. The drug is employed for the treatment of inflammatory disease arthritis urica (gout), and the free base, FB form-A, is most preferred for drug formulation.
Ji-Hun An, Changjin Lim, Hyung Chul Ryu, Jae Sun Kim, Hyuk Min Kim, Alice Nguvoko Kiyonga, Minho Park, Young-Ger Suh, Gyu Hwan Park, Kiwon Jung   +9 more
doaj   +1 more source

Dissolution rate of ciprofloxacin and its cocrystal with resorcinol

ADMET and DMPK, 2018
The synthesis of cocrystals is presented as an alternative to improve the properties of active pharmaceutical ingredients, especially those related to solubility and dissolution rate.
Clara Ràfols, Hanan Fael, Elisabet Fuguet, Breeze Outhwaite, Samuel Lee, Rebeca Ruiz   +5 more
doaj   +1 more source

Optimisation of Pharmaceutical Cocrystal Dissolution Performance through a Synergistic Precipitation Inhibition. [PDF]

Pharm Res, 2023
Shi K, Li M.
europepmc   +1 more source

Imaging supermolecular interactions of the pharmaceutical-cocrystal of apigenin-nicotinamide binding with serum albumin. [PDF]

Turk J Chem, 2023
Sun Y, Guo M, Zhao X, Wu R.
europepmc   +1 more source

Recent advances in pharmaceutical cocrystals of theophylline

Natural Products and Bioprospecting
AbstractCurrently, cocrystallization is a promising strategy for tailoring the physicochemical properties of active pharmaceutical ingredients. Theophylline, an alkaloid and the most primary metabolite of caffeine, is a readily available compound found in tea and coffee.
Yanxiao Jia, Dezhi Yang, Wenwen Wang, Kun Hu, Min Yan, Li Zhang, Li Gao, Yang Lu   +7 more
openaire   +3 more sources

Dissolution and Pharmacokinetic Studies of Paracetamol-4,4′-Bipyridine Cocrystals Obtained Using Four Methods

Crystals
Paracetamol-4,4′-bipyridine cocrystals were synthesized using a solution method, reflux method, grinding method, and ultrasonic method. The structures and properties were characterized through the utilization of single-crystal X-ray diffraction (SXRD ...
Xiaoming Zhang, Yejia Huang, Jinliang Li, Yiying Chen, Jialing Lian   +4 more
doaj   +1 more source