Results 151 to 160 of about 280,213 (284)

Fragment‐Based Drug Discovery of Novel High‐affinity, Selective, and Anti‐inflammatory Inhibitors of the Keap1‐Nrf2 Protein‐Protein Interaction

Angewandte Chemie, EarlyView.
We developed potent and selective noncovalent Keap1‐Nrf2 inhibitors through a structure‐guided fragment‐based approach. These nanomolar inhibitors activate Nrf2‐controlled genes, suppress inflammation via NLRP3 and STING pathways, and exhibit distinct transcriptional profiles compared to covalent Nrf2 activators, offering promising chemical probes and ...
Chunyu Lin, Dilip Narayanan, Marilia Barreca, Cecilie Poulsen, Leandro Silva da Costa, Xiangrong Chen, Kendall G. Wichman, Cherisse A. Charley, Jaslin L. Lindsay, Mahya Dezfouli, Dimitra Vlissari, Thomas S. Mortensen, Camilla B. Chan, Jingyi Wang, William Richardson, Charlotte E. Manning, Zhuoyao Chen, Jie Zang, Helena Käck, Michael Gajhede, Alex N. Bullock, David J. Blake, David Olagnier, Anders Bach   +23 more
wiley   +2 more sources

The Structure of Nitro‐ and Polynitropyrazoles: X‐Ray Crystallography Versus Theoretical Calculations

Asian Journal of Organic Chemistry, EarlyView.
Abstract This publication presents the geometries of 157 nitro‐ and polynitropyrazoles. Among these, 109 compounds were theoretically studied using mainly the B3LYP/6–311++G(d,p) level of theory. Three‐parameter Lee‐Yang‐Parr (B3LYP) is a density functional theory (DFT) method widely used in computational chemistry and constitutes an acceptable ...
Rosa M. Claramunt, Marta Pérez‐Torralba, José Elguero, Ibon Alkorta   +3 more
wiley   +1 more source

Metastable Macrocyclic Bis‐Meisenheimer Adduct

Angewandte Chemie, EarlyView.
A tetranitroazacalixarene captures cyanide reversibly via SNAr to form a metastable dianionic bis‐Meisenheimer complex. Stabilized by intramolecular hydrogen bonding, the dianionic adduct spontaneously regenerates the parent macrocycle under mild conditions. This dynamic, fuel‐driven process can be finely tuned by the counterion, concentration, solvent,
Simon Pascal, Angélina Torres Ruiz, Aerin E. Baker, Douglas A. Vander Griend, Michel Giorgi, Aurélien Planchat, Denis Jacquemin, Olivier Siri   +7 more
wiley   +2 more sources

Solubilities in Aqueous Solutions of Ammonium Sulfate and Potassium Salts of Malonic, Succinic, or Glutaric Acid. [PDF]

J Phys Chem A
Beyer KD, Taylor KT, Rendler SR, Roskam JL.   +3 more
europepmc   +1 more source

Piano‐Stool Rhodium(V) and Rhodium(IV) Intermediates in C─H Functionalization and B─H Functionalization: Mechanistic Insights and Emerging Reactivity

Asian Journal of Organic Chemistry, EarlyView.
High‐valent Rh(IV) and Rh(V) species have been invoked to rationalize enhanced catalytic reactivity. This review examines evidence for both, emphasizing reactions proceeding through the Rh(III)/Rh(IV)/Rh(II) cycle. While Rh(V) intermediates are computationally supported, experimental evidence is limited; Rh(IV) species are supported by both theory and ...
Yujie Cao, Arnav Kacker, Kevin G. M. Kou
wiley   +1 more source

Wacker Oxidation of Trisubstituted Alkenes: Pd(II)‐Catalyzed Oxidative Ring Expansion of Exocyclic α,β‐Unsaturated Carbonyl to 2‐Fluoro‐1,3‐Dicarbonyl Compounds

Angewandte Chemie, EarlyView.
First examples of Pd(II)‐catalyzed Wacker oxidation of trisubstituted alkenes, coupled with electrophilic fluorination, enable a one‐carbon ring expansion of exocyclic α,β‐unsaturated carbonyls to 2‐fluoro‐2‐acyl‐cycloalkanones. Abstract The Wacker oxidation is a powerful synthetic method widely employed for the transformation of monosubstituted ...
Vincent Goëlo, Qian Wang, Jieping Zhu
wiley   +2 more sources

Brassinin from Brassica campestris L. inhibits colorectal cancer by inducing p62/NRF2/GPX4‐regulated ferroptosis

Animal Models and Experimental Medicine, EarlyView.
BSN suppresses the cell viability of colorectal cancer by inducing GPX4‐regulated ferroptosis. BSN may bind to NRF2 protein to inactivate the NRF2 signaling, inhibiting the expression of p62 and HO‐1. Abstract Background Indole phytoalexins, plant‐derived compounds present in cruciferous vegetables, have demonstrated anticancer properties.
Shi‐Yuan Wen, Rui‐Rui Gao, Yan‐Yan Chen, Yi‐Jie Wang, Xin‐Tong Wang, Hai‐Xin Liu   +5 more
wiley   +1 more source

Unveiling an Alternative Mechanism for Lewis Basic Selenium as a C─H Hydrogen Bond Catalyst and Its Application in the Halogenation of Arenes

Angewandte Chemie, EarlyView.
This work demonstrates an unconventional mechanism in Lewis basic selenium‐catalyzed electrophilic halogenation, where in situ oxidation of selenourea by the halogen source generates hypervalent Se‐imidazolium species. These intermediates function as hydrogen‐bond catalysts to activate N‐haloamide reagents, enabling efficient and mild halogenation of ...
Jingxian Huang, Qingyu Zhang, Haihui Wang, Junjie Yang, Ying‐Lung Steve Tse, Xiaojian Jiang, Ying‐Yeung Yeung   +6 more
wiley   +2 more sources

Structure Determination by X-Ray Crystallography [PDF]

, 1977
M. F. C. Ladd, R. A. Palmer
openaire   +1 more source

Inversion of the X-ray restrained wavefunction equations: a first step towards the development of exchange-correlation functionals based on X-ray data. [PDF]

J Appl Crystallogr
Genoni A, Sironi M.
europepmc   +1 more source