Results 51 to 60 of about 2,679 (172)

Effect of molecular perturbation on cocrystal formation: theophylline and its 8‐halo analogues with flavonoids

Acta Crystallographica Section C, EarlyView.
The tendency for alkaloid–flavonoid cocrystal formation is found to be markedly different for theophylline (Tph) compared to its 8‐halo analogues. Through screening with 13 common flavonoids, Tph is found to form cocrystals with six flavonoids, whereas 8‐Cl‐Tph and 8‐Br‐Tph each form cocrystals with just two, myricetin and kaempferol.
Weijian Ye, Herman H-Y. Sung, Ian D. Williams   +2 more
wiley   +1 more source

The effects of pH, surfactant, ion concentration, coformer, and molecular arrangement on the solubility behavior of myricetin cocrystals

Acta Pharmaceutica Sinica B, 2019
Pharmaceutical cocrystals are a promising technology that can be used to improve the solubility of poor aqueous compounds. The objective of this study was to systematically investigate the solubility of myricetin (MYR) cocrystals, including their kinetic
Shuzhen Ren, Mingyu Liu, Chao Hong, Guowen Li, Jiabin Sun, Jianying Wang, Lei Zhang, Yan Xie   +7 more
doaj   +1 more source

Molecular Structural, Hydrogen Bonding Interactions, and Chemical Reactivity Studies of Ezetimibe-L-Proline Cocrystal Using Spectroscopic and Quantum Chemical Approach

Frontiers in Chemistry, 2022
Ezetimibe (EZT) being an anticholesterol drug is frequently used for the reduction of elevated blood cholesterol levels. With the purpose of improving the physicochemical properties of EZT, in the present study, cocrystals of ezetimibe with L-proline ...
Preeti Prajapati, Jaya Pandey, Poonam Tandon, Kirti Sinha, Manishkumar R. Shimpi, Manishkumar R. Shimpi   +5 more
doaj   +1 more source

Linkerability of Protein Ligands: Insights From Cocrystal Structures and Implications for DNA‐Encoded Libraries

Molecular Informatics, Volume 45, Issue 8, August 2026.
Linkers play a central role in medicinal chemistry but can interfere with protein binding of small molecules. This study analyzes linkerability of protein ligands and explores how limited accessibility impacts the interpretation of DNA‐encoded library data and their use in machine learning for predicting active compounds. Linkers play a central role in
Raphael M. Franzini
wiley   +1 more source

Formation of Ciprofloxacin–Isonicotinic Acid Cocrystal Using Mechanochemical Synthesis Routes—An Investigation into Critical Process Parameters

Pharmaceutics, 2022
The mechanochemical synthesis of cocrystals has been introduced as a promising approach of formulating poorly water-soluble active pharmaceutical ingredients (APIs).
Maryam Karimi-Jafari, Ahmad Ziaee, Emmet O’Reilly, Denise Croker, Gavin Walker   +4 more
doaj   +1 more source

Characterization and Quality Control of Pharmaceutical Cocrystals

CHEMICAL & PHARMACEUTICAL BULLETIN, 2016
Recent active research and new regulatory guidance on pharmaceutical cocrystals have increased the rate of their development as promising approaches to improve handling, storage stability, and bioavailability of poorly soluble active pharmaceutical ingredients (APIs).
Izutsu, Ken-ichi, Koide, Tatsuo, Takata, Noriyuki, Ikeda, Yukihiro, Ono, Makoto, Inoue, Motoki, Fukami, Toshiro, Yonemochi, Etsuo   +7 more
openaire   +3 more sources

A Chiral Saddle‐Shaped Nanographene With Two Heptagon‐Embedded [4]Helicenes

Angewandte Chemie International Edition, Volume 65, Issue 31, 27 July 2026.
We present a novel synthetic strategy toward a chiral saddle‐shaped nanographene (cSNG) via a two‐step oxidation of a prochiral anthracene precursor. The Scholl‐type oxidation first yields a key intermediate with sp3‐defect heptagons, and subsequent oxidative dehydrogenation affords fully conjugated cSNG.
Felix Trautner, Boris Borrisov, Philipp Royla, Hongqing Zhao, Hartmut Komber, Li Wan, Evgenia Dmitrieva, Ji Ma, Jan J. Weigand, Qun Yang, Xinliang Feng, Wenhui Niu   +11 more
wiley   +1 more source

Pharmaceutical Cocrystals: An Overview

Asian Journal of Pharmaceutical Research and Development
Poor aqueous solubility and low oral bioavailability of an active pharmaceutical ingredient are the major constraints during the development of new product. Various approaches have been used for enhancement of solubility of poorly aqueous soluble drugs, but success of these approaches depends on physical and chemical nature of molecules being developed.
null Jagdish Kumar Rawal, null Dr. Anshu Sharma   +1 more
openaire   +1 more source

Discovery of a Potent Fluorescence Polarization Probe for Identifying USP1 Allosteric Inhibitors

Advanced Science, Volume 13, Issue 39, 13 July 2026.
This study presents the first ubiquitin‐specific protease 1 (USP1) allosteric fluoroprobe and fluorescence polarization assay, enabling the differentiation of allosteric and catalytic site inhibitors. Further, a novel class of tetrahydroisoquinoline‐based USP1 inhibitors is designed, with compound 14a (USP1 IC50 = 29.9 nM) showing strong selectivity ...
Jiawei Cheng, Peipei Wang, Pengfei Wang, Jiamin Wang, Baiyang Li, Daqing Fang, Jian He, Xiaobei Hu, Weijuan Kan, Yubo Zhou, Chunpu Li, Jia Li, Hong Liu   +12 more
wiley   +1 more source

Predicting the Solubility of Pharmaceutical Cocrystals in Solvent/Anti-Solvent Mixtures

Molecules, 2016
In this work, the solubilities of pharmaceutical cocrystals in solvent/anti-solvent systems were predicted using PC-SAFT in order to increase the efficiency of cocrystal formation processes.
Linda Lange, Stefan Heisel, Gabriele Sadowski   +2 more
doaj   +1 more source