Results 51 to 60 of about 1,416,280 (277)

Photocatalytic Oxidation Reactions Mediated by Covalent Organic Frameworks and Related Extended Organic Materials

Frontiers in Chemistry, 2021
Covalent Organic Frameworks (COFs) and related extended organic materials have been widely used as photocatalysts in the last few years. Such interest arises from the wide range of covalent linkages employed in their construction, which offer many ...
José Alemán, José Alemán, Rubén Mas-Ballesté, Rubén Mas-Ballesté   +3 more
doaj   +1 more source

X-ray Screening of an Electrophilic Fragment Library and Application toward the Development of a Novel ERK 1/2 Covalent Inhibitor.

Journal of Medicinal Chemistry, 2022
Fragment-based drug discovery (FBDD) has become an established method for the identification of efficient starting points for drug discovery programs. In recent years, electrophilic fragment screening has garnered increased attention from both academia ...
Jeffrey D St Denis, G. Chessari, A. Cleasby, Benjamin D Cons, S. Cowan, Samuel E. Dalton, C. East, C. Murray, M. O’Reilly, T. Peakman, M. Rapti, Jessie Stow   +11 more
semanticscholar   +1 more source

Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates [PDF]

ChemMedChem, 2022
Disulfide bond protein A (DsbA) is an oxidoreductase enzyme that catalyzes the formation of disulfide bonds in Gram-negative bacteria. In Escherichia coli, DsbA (EcDsbA) is essential for bacterial virulence, thus inhibitors have the potential to act as antivirulence agents. A fragment-based screen was conducted against EcDsbA and herein we describe the
Bradley C. Doak, Rebecca L. Whitehouse, Kieran Rimmer, Martin Williams, Begoña Heras, Sofia Caria, Olga Ilyichova, Mansha Vazirani, Biswaranjan Mohanty, Jason B. Harper, Martin J. Scanlon, Jamie S. Simpson   +11 more
openaire   +2 more sources

Topoisomerase 1 cleavage complex enables pattern recognition and inflammation during senescence

Nature Communications, 2020
Here, the authors show that the topoisomerase 1-DNA covalent cleavage complex plays a critical role in mediating cytoplasmic chromatin fragments recognition by cyclic GMP-AMP synthase during senescence.
Bo Zhao, Pingyu Liu, Takeshi Fukumoto, Timothy Nacarelli, Nail Fatkhutdinov, Shuai Wu, Jianhuang Lin, Katherine M. Aird, Hsin-Yao Tang, Qin Liu, David W. Speicher, Rugang Zhang   +11 more
doaj   +1 more source

Electrophilic Fragment-Based Design of Reversible Covalent Kinase Inhibitors [PDF]

Journal of the American Chemical Society, 2013
Fragment-based ligand design and covalent targeting of noncatalytic cysteines have been employed to develop potent and selective kinase inhibitors. Here, we combine these approaches, starting with a panel of low-molecular-weight, heteroaryl-susbstituted cyanoacrylamides, which we have previously shown to form reversible covalent bonds with cysteine ...
Rand M, Miller, Ville O, Paavilainen, Shyam, Krishnan, Iana M, Serafimova, Jack, Taunton   +4 more
openaire   +2 more sources

Covalent Allosteric Inhibitors of Akt Generated Using a Click Fragment Approach

ChemMedChem, 2022
AbstractAkt is a protein kinase that has been implicated in the progression of cancerous tumours. A number of covalent allosteric Akt inhibitors are known, and based on these scaffolds, a small library of novel potential covalent allosteric imidazopyridine‐based inhibitors was designed.
van der Westhuizen, Leandi, Weisner, Jörn, Taher, Abu, Landel, Ina, Quambusch, Lena, Lindemann, Marius, Uhlenbrock, Niklas, Müller, Matthias P., Green, Ivan R., Pelly, Stephen C., Rauh, Daniel, van Otterlo, Willem A. L.   +11 more
openaire   +2 more sources

Proteome-wide covalent ligand discovery in native biological systems

Nature, 2016
Small molecules are powerful tools for investigating protein function and can serve as leads for new therapeutics. Most human proteins, however, lack small-molecule ligands, and entire protein classes are considered ‘undruggable’.
Keriann M. Backus, B. Correia, Kenneth M. Lum, Stefano Forli, Benjamin D. Horning, G. González-Páez, Sandip Chatterjee, Bryan R. Lanning, J. Teijaro, A. Olson, D. Wolan, B. Cravatt   +11 more
semanticscholar   +1 more source

Open-source electrophilic fragment screening platform to identify chemical starting points for UCHL1 covalent inhibitors

SLAS Discovery
Target-based screening of covalent fragment libraries with mass spectrometry has emerged as a powerful strategy to identify chemical starting points for small molecule inhibitors or find new binding pockets on proteins of interest.
Scott B. Ficarro, Zachary H. Marto, Nicholas M. Girardi, Dingyu Deng, Isabella Jaen Maisonet, Guillaume Adelmant, Laura E. Fleming, Mona Sharafi, Isidoro Tavares, Andrew Zhao, HyoJeon Kim, Hyuk-Soo Seo, Sirano Dhe-Paganon, Sara J. Buhrlage, Jarrod A. Marto   +14 more
doaj   +1 more source

Inhibition of cyclin‐dependent kinases 12/13 using CT7439 as a treatment for colorectal cancer with CDK12 upregulation

Molecular Oncology, EarlyView.
The proposed mechanism of action for the CDK12/13 inhibitor and cyclin K degrader, CT7439. CDK12/13 inhibition interrupts transcription elongation, leading to increased DNA damage that results in cell death. This agent is a potentially novel treatment option for patients with colorectal cancer. Created in BioRender. Cyclin‐dependent kinase (CDK) 12 and
Wylie K. Watlington, Divya L. Dayanidhi, Mohammad Zokaasadi, John B. Mantyh, Pelumi D. Olawuni, Gabrielle Rupprecht, Jeremy M. Force, Shannon McCall, Ashwani K. Bahl, David S. Hsu, Jason A. Somarelli   +10 more
wiley   +1 more source

Covalent Bonding of Pyrrolobenzodiazepines (PBDs) to Terminal Guanine Residues within Duplex and Hairpin DNA Fragments. [PDF]

PLoS ONE, 2016
Pyrrolobenzodiazepines (PBDs) are covalent-binding DNA-interactive agents with growing importance as payloads in Antibody Drug Conjugates (ADCs). Until now, PBDs were thought to covalently bond to C2-NH2 groups of guanines in the DNA-minor groove across ...
Julia Mantaj, Paul J M Jackson, Kersti Karu, Khondaker M Rahman, David E Thurston   +4 more
doaj   +1 more source