Results 81 to 90 of about 1,115 (165)

Cocrystal Synthesis through Crystal Structure Prediction

, 2023
Crystal structure prediction (CSP) is an invaluable tool in the pharmaceutical industry because it allows to predict all the possible crystalline solid forms of small-molecule active pharmaceutical ingredients.
Chao Chang (2607691), Yuriy A. Abramov, Yingdi Jin, Chien-Hung Chen, Luca Iuzzolino (4459681), Chandler Greenwell, Alfred Y. Lee, Yuriy A. Abramov (16032909), Gregory York (1458103), C. Scott Shultz, Gregory York, Baimei Shi, Chien-Hung Chen (367115), Baimei Shi (7353455), Sivakumar Sekharan (1268745), Luca Iuzzolino, Chao Chang, C. Scott Shultz (1458088), Sivakumar Sekharan, Zhuocen Yang (9454097), Chandler Greenwell (5674214), Alfred Y. Lee (2665666), Yingdi Jin (1914595), Zhuocen Yang, Tian Zhou (722086), Tian Zhou   +25 more
core   +1 more source

A Hanks‐type bacterial kinase, PknS, directly phosphorylates the alternative sigma factor EcfK to promote resistance to protist predation

The FEBS Journal, Volume 293, Issue 9, Page 2772-2793, May 2026.
The Xanthomonas citri Hanks‐type kinase PknS autophosphorylates and directly phosphorylates the alternative sigma factor EcfK at five residues. Besides the conserved residue T51 in the σ2 domain, phosphorylation of a residue in the linker between σ2 and σ4 is critical for EcfK activation by promoting its interaction with a positively charged pocket in ...
Lídia dos Passos Lima, Dev Sriranganadane, Daiane Laise da Silva, Natália C. Drebes Dörr, Enzo Breviglieri Sichi Mello, Caio Vinicius dos Reis, Rogério Ferreira Lourenço, José Felipe Teixeira da Silva Santos, Anita Salmazo, Brenno Wendler Miranda, Katlin B. Massirer, Rafael M. Couñago, Cristina E. Alvarez‐Martinez   +12 more
wiley   +1 more source

Development of Styryl‐Modified 3,4‐Dihydropyrimidin‐2(1H)‐ones as Potential Antitumor Agents

ChemMedChem, Volume 21, Issue 7, 14 April 2026.
Styryl‐modified 3,4‐dihydropyrimidin‐2(1H)‐ones (DHPMs), designed from the Eg5 inhibitor monastrol, show markedly enhanced antiproliferative activity in HeLa and MCF‐7 cancer cells. Lead compounds 16 and 17 trigger apoptosis through cell‐line‐specific pathways and downregulate c‐Myc, emerging as promising anticancer candidates.
Konstantinos Panagoulias, Woonghee Kim, Murat Ozdemir, Busra Turan, Adil Mardinoglu, Hasan Turkez, Daniela Trisciuzzi, Orazio Nicolotti, Antonio Di Stefano, Stamatia Vassiliou, Ivana Cacciatore   +10 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

Semiconducting Quasi One‐Dimensional (PbBr2)[Pb2P14]2, a Lead Bromide Adduct and Violet Phosphorus Derivative

Zeitschrift für anorganische und allgemeine Chemie, Volume 652, Issue 6, 07 April 2026.
The quasi‐one‐dimensional semiconductor Pb5Br2P28 was examined in terms of its structural and electronic properties. Single‐crystal X‐ray diffraction (SC‐XRD) and Raman spectroscopy support its description as neutral [Pb2P14] and [PbBr2] units. Combined with its semiconducting properties and high flexibility, Pb5Br2P28 emerges as a promising candidate ...
Kathrin Vosseler, Felipe Jacques Lima Duarte, Tom Nilges   +2 more
wiley   +1 more source

Crystal engineering optimizes emodin-tetramethylpyrazine combination: From cocrystal design to in vivo anti-colitis efficacy assessment

International Journal of Pharmaceutics: X
Emodin (EMO) shows therapeutic promise for ulcerative colitis (UC), yet its clinical utility is hampered by low bioavailability. To rationally overcome this limitation, this study employed cocrystal engineering, strategically selecting ...
Meiru Liu, Yinru Jiang, Penghui Yuan, Shuang Li, Baoxi Zhang, Xia Zhou, Bin Su, Yifei Xie, Dezhi Yang, Linglei Kong, Li Zhang, Yang Lv, Guanhua Du   +12 more
doaj   +1 more source

Thermally Activated Delayed Fluorescence in Phase‐Separated Nanostructures

Advanced Functional Materials, Volume 36, Issue 31, 16 April 2026.
A supramolecular, phase‐separation driven strategy yields charge transfer (CT) complexes from alternating electron‐deficient pyromellitic diimide and electron‐rich 4,5‐dibromoveratrole. The resulting CT complexes self‐assemble into lamellar nanosheets with nanometer‐sized domains that exhibit thermally activated delayed fluorescence (TADF) at room ...
Bart W.L. van den Bersselaar, Giovanni M. Beneventi, Philip M. Greißel, Lukas A. Mai, Stefan J. D. Maessen, Bas F.M. de Waal, E.W. Meijer, Dirk M. Guldi, Ghislaine Vantomme   +8 more
wiley   +1 more source

Unraveling Chronic Pain: From Mechanisms and Risks to Diagnosis and Treatment

MedComm, Volume 7, Issue 4, April 2026.
Chronic pain arises through distinct molecular pathways categorized into nociceptive, neuropathic, and nociplastic types. Nociceptive pain begins with TRP channel activation in peripheral nociceptors, signaling via Aδ‐ and C‐fibers through the spinal dorsal horn and spinothalamic tracts to the brain, regulated by descending inhibition and involving ...
Xiaofeng Dai, Chongxiang Wang, Ping Jiang, Xiaopeng Mei   +3 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

Mechanochemical Synthesis of Pharmaceutical Cocrystal Suspensions via Hot Melt Extrusion: Feasibility Studies and Physicochemical Characterization

, 2016
Engineered cocrystals offer an alternative solid drug form with tailored physicochemical properties. Interestingly, although cocrystals provide many new possibilities, they also present new challenges, particularly in regard to their design and large ...
Tao Yu (176965), Shu Li (136154), Colin P. McCoy (633675), Gavin P. Andrews (2890100), Yiwei Tian (2890103), David S. Jones (633681)   +5 more
core   +1 more source