Results 71 to 80 of about 2,349 (173)

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

Towards more efficient screening of pharmaceutical cocrystals [PDF]

, 2011
Pharmaceutical cocrystals are formed between active pharmaceutical ingredients (APIs) and coformers that are biologically safe. Cocrystals are of considerable relevance to the pharmaceutical industry as they offer the ability of optimizing the physical ...
Issa, N.
core  

Mechanochemically Driven Synthesis of Anticancer Cocrystals: A Case Study of Lenalidomide

Chemistry–Methods, Volume 6, Issue 5, May 2026.
The combination of crystal engineering and mechanochemical approaches is a powerful strategy for the rational screen and development of new solid forms of active pharmaceutical ingredients (API). New supramolecular patterns formed between an API and a coformer allow the adjustment of physicochemical properties of drugs.
Ana C. S. Carvalho, M. Teresa Duarte, Clara S. B. Gomes, Mafalda Sarraguça, Alessia Bacchi, Michele Prencipe, Job Gieling, Natalia Shemchuk, Daniel M. Baier, Koen Robeyns, Hector Polyzois, Lidia Tajber, Christos M. Chatzigiannis, Evelina Colacino, Tom Leyssens, Vânia André   +15 more
wiley   +1 more source

Supramolecular synthon hierarchy in sulfonamide cocrystals with syn-amides and N-oxides

IUCrJ, 2019
Sulfonamide drugs are well known antibacterial and antimicrobial molecules for pharmaceutical development. Building a library of suitable supramolecular synthons for the sulfonamide functional group and understanding their crystal structures with partner
Geetha Bolla, Ashwini Nangia
doaj   +1 more source

Discovery of 4‐Quinazolinone‐Containing Phenylalanine Derivatives as Potent, Resistant‐Tolerant HIV Capsid Inhibitors

MedComm, Volume 7, Issue 5, May 2026.
Novel phenylalanine derivatives were identified as HIV‐1 capsid inhibitors. IC‐2i showed significant anti‐HIV‐1 activity at picomolar concentrations. ABSTRACT The HIV‐1 capsid (CA) is a validated antiviral target that plays critical roles in both the early and late stages of the viral life cycle.
Xujie Zhang, Lin Sun, Laura Walsham, Yuexi Ma, Dang Ding, Mei Wang, Fabao Zhao, Jian Zhang, Zhao Wang, Shujing Xu, Xiangyi Jiang, Yang Zhou, Erik De Clercq, Christophe Pannecouque, Chin‐Ho Chen, David C. Goldstone, Xinyong Liu, Alexej Dick, Peng Zhan   +18 more
wiley   +1 more source

Characterizations and Assays of α-Glucosidase Inhibition Activity on Gallic Acid Cocrystals: Can the Cocrystals be Defined as a New Chemical Entity During Binding with the α-Glucosidase?

Molecules, 2020
Cocrystallization with co-former (CCF) has proved to be a powerful approach to improve the solubility and even bioavailability of poorly water-soluble active pharmaceutical ingredients (APIs).
Na Xue, Yutao Jia, Congwei Li, Binnan He, Caiqin Yang, Jing Wang   +5 more
doaj   +1 more source

Feed‐Forward Deep Neural Networks Predict Substrate‐Specific Effects of Transporter Variants to Explain Drug Response Variability

Clinical and Translational Science, Volume 19, Issue 5, May 2026.
ABSTRACT Genetic variants in drug transporter genes shape the interindividual variability in drug response. However, their functional interpretation has remained limited due to the substrate dependence of variant effects. Existing predictors are substrate‐agnostic and cannot capture how a single amino acid change differentially affects transport across
Yoomi Park, Yitian Zhou, Ming Xiao, Anne T. Nies, Volker M. Lauschke   +4 more
wiley   +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

The Stoichiometry of TCNQ-Based Organic Charge-Transfer Cocrystals

Crystals, 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, Huifei Zhai, Peng Hu, Hui Jiang   +3 more
doaj   +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