Results 31 to 40 of about 1,416,280 (277)

Virtual Screening of Peptide and Peptidomimetic Fragments Targeted to Inhibit Bacterial Dithiol Oxidase DsbA. [PDF]

PLoS ONE, 2015
Antibacterial drugs with novel scaffolds and new mechanisms of action are desperately needed to address the growing problem of antibiotic resistance. The periplasmic oxidative folding system in Gram-negative bacteria represents a possible target for anti-
Wilko Duprez, Prabhakar Bachu, Martin J Stoermer, Stephanie Tay, Róisín M McMahon, David P Fairlie, Jennifer L Martin   +6 more
doaj   +1 more source

Fragmentation and depolymerization of non-covalently bonded filaments [PDF]

The Journal of Chemical Physics, 2015
Protein molecules often self-assemble by means of non-covalent physical bonds to form extended filaments, such as amyloids, F-actin, intermediate filaments, and many others. The kinetics of filament growth is limited by the disassembly rate, at which inter-protein bonds break due to the thermal motion.
A. Zaccone, I. Terentjev, L. Di Michele, E. M. Terentjev   +3 more
openaire   +4 more sources

Covalent Inhibition by a Natural Product-Inspired Latent Electrophile

bioRxiv, 2023
Strategies to target specific protein cysteines are critical to covalent probe and drug discovery. 3-bromo-4,5-dihy-droxazole is a natural product-inspired, synthetically accessible electrophilic moiety that has previously been shown to react with ...
David P Byun, Jennifer Ritchie, Yejin Jung, R. Holewinski, H. Kim, Ravichandra Tagirasa, J. Ivanic, C. Weekley, M. W. Parker, T. Andresson, Euna Yoo   +10 more
semanticscholar   +1 more source

Rapid Covalent-Probe Discovery by Electrophile-Fragment Screening [PDF]

Journal of the American Chemical Society, 2019
Covalent probes can display unmatched potency, selectivity, and duration of action; however, their discovery is challenging. In principle, fragments that can irreversibly bind their target can overcome the low affinity that limits reversible fragment screening, but such electrophilic fragments were considered nonselective and were rarely screened.
Efrat Resnick, Anthony Bradley, Jinrui Gan, Alice Douangamath, Tobias Krojer, Ritika Sethi, Paul P. Geurink, Anthony Aimon, Gabriel Amitai, Dom Bellini, James Bennett, Michael Fairhead, Oleg Fedorov, Ronen Gabizon, Jin Gan, Jingxu Guo, Alexander Plotnikov, Nava Reznik, Gian Filippo Ruda, Laura Díaz-Sáez, Verena M. Straub, Tamas Szommer, Srikannathasan Velupillai, Daniel Zaidman, Yanling Zhang, Alun R. Coker, Christopher G. Dowson, Haim M. Barr, Chu Wang, Kilian V.M. Huber, Paul E. Brennan, Huib Ovaa, Frank von Delft, Nir London   +33 more
openaire   +6 more sources

Electrophilic MiniFrags Revealed Unprecedented Binding Sites for Covalent HDAC8 Inhibitors

Journal of Medicinal Chemistry, 2023
Screening of ultra-low-molecular weight ligands (MiniFrags) successfully identified viable chemical starting points for a variety of drug targets. Here we report the electrophilic analogues of MiniFrags that allow the mapping of potential binding sites ...
Aaron Keeley, Aleksandra Kopranovic, Vincenzo di Lorenzo, Péter Ábrányi‐Balogh, Niklas Jänsch, Linh N Lai, L. Petri, Z. Orgován, Daniel Pölöske, A. Orlova, András György Németh, Charlotte Desczyk, T. Imre, D. Bajusz, R. Moriggl, F. Meyer‐Almes, G. Keserü   +16 more
semanticscholar   +1 more source

Correction: Fragment-based covalent ligand discovery

RSC Chemical Biology, 2021
Correction for ‘Fragment-based covalent ligand discovery’ by Wenchao Lu et al. , RSC Chem. Biol. , 2021, DOI: 10.1039/d0cb00222d.
Lu, Wenchao, Kostic, Milka, Zhang, Tinghu, Che, Jianwei, Patricelli, Matthew P., Jones, Lyn H., Chouchani, Edward T., Gray, Nathanael S.   +7 more
openaire   +2 more sources

Generation of biparatopic antibody through two-step targeting of fragment antibodies on antigen using SpyTag and SpyCatcher

Biotechnology Reports, 2020
Biparatopic fragment antibodies can overcome deficiencies in avidity of conventional antibody fragments. Here, we describe a technology for generating biparatopic antibodies through two-step targeting using a pair of polypeptides, SpyTag and SpyCatcher ...
Hiroki Akiba, Kensuke Takayanagi, Osamu Kusano-Arai, Hiroko Iwanari, Takao Hamakubo, Kouhei Tsumoto   +5 more
doaj   +1 more source

Identification of covalent fragment inhibitors for Plasmodium falciparum UCHL3 with anti-malarial efficacy

Bioorganic & Medicinal Chemistry Letters, 2023
Malaria continues to be a major burden on global health, responsible for 619,000 deaths in 2021. The causative agent of malaria is the eukaryotic parasite Plasmodium.
Ryan D Imhoff, M. Rosenthal, Kutub Ashraf, P. Bhanot, Caroline L. Ng, D. Flaherty   +5 more
semanticscholar   +1 more source

Role of a Neighbor Ion in the Fragmentation Dynamics of Covalent Molecules [PDF]

Physical Review Letters, 2017
Fragmentation of molecular nitrogen dimers (N_{2})_{2} induced by collision with low energy 90 keV Ar^{9+} ions is studied to evidence the influence of a molecular environment on the fragmentation dynamics of N_{2} cations. Following the capture of three or four electrons from the dimer, the three-body N_{2}^{+}+N^{m+}+N^{n+} [with (m,n)=(1,1) or (1, 2)
Méry, A., Agnihotri, A., Douady, J., Fléchard, X., Gervais, B., Guillous, S., Iskandar, W., Jacquet, E., Matsumoto, J., Rangama, Jimmy, Ropars, F., Safvan, C. p., Shiromaru, H., Zanuttini, D., Cassimi, A.   +14 more
openaire   +6 more sources

Efficient Ligand Discovery Using Sulfur(VI) Fluoride Reactive Fragments

ACS Chemical Biology, 2023
Sulfur(VI) fluorides (SFs) have emerged as valuable electrophiles for the design of “beyond-cysteine” covalent inhibitors and offer potential for expansion of the liganded proteome. Since SFs target a broad range of nucleophilic amino acids, they deliver
Arron Aatkar, A. Vuorinen, Oliver E Longfield, K. Gilbert, Rachel E. Peltier-Heap, C. Wagner, F. Zappacosta, K. Rittinger, C. Chung, D. House, N. Tomkinson, Jacob T. Bush   +11 more
semanticscholar   +1 more source