Results 31 to 40 of about 20,139 (226)

Synthesis, Structure and Antileishmanial Evaluation of Endoperoxide–Pyrazole Hybrids

Molecules, 2022
Leishmaniases are among the most impacting neglected tropical diseases. In attempts to repurpose antimalarial drugs or candidates, it was found that selected 1,2,4-trioxanes, 1,2,4,5-tetraoxanes, and pyrazole-containing chemotypes demonstrated activity ...
Patrícia S. M. Amado, Inês C. C. Costa, José A. Paixão, Ricardo F. Mendes, Sofia Cortes, Maria L. S. Cristiano   +5 more
doaj   +1 more source

Styrylpyrazoles: Properties, Synthesis and Transformations

Molecules, 2020
The pyrazole nucleus and its reduced forms, pyrazolines and pyrazolidine, are privileged scaffolds in medicinal chemistry due to their remarkable biological activities. A huge number of pyrazole derivatives have been studied and reported over time.
Pedro M. O. Gomes, Pedro M. S. Ouro, Artur M. S. Silva, Vera L. M. Silva   +3 more
doaj   +1 more source

Discovery of a Potent Fluorescence Polarization Probe for Identifying USP1 Allosteric Inhibitors

Advanced Science, EarlyView.
This study presents the first ubiquitin‐specific protease 1 (USP1) allosteric fluoroprobe and fluorescence polarization assay, enabling the differentiation of allosteric and catalytic site inhibitors. Further, a novel class of tetrahydroisoquinoline‐based USP1 inhibitors is designed, with compound 14a (USP1 IC50 = 29.9 nM) showing strong selectivity ...
Jiawei Cheng, Peipei Wang, Pengfei Wang, Jiamin Wang, Baiyang Li, Daqing Fang, Jian He, Xiaobei Hu, Weijuan Kan, Yubo Zhou, Chunpu Li, Jia Li, Hong Liu   +12 more
wiley   +1 more source

Diffusion‐Based Generative Model With Scaffold‐Hopping Strategy Yields Highly Potent Bioactive Molecules

Advanced Science, EarlyView.
SMarT‐Diff introduces a multi‐objective generative paradigm that integrates scaffold hopping with structure‐aware scoring to enable controlled exploration beyond the training distribution. The framework consistently balances drug‐likeness, synthesizes accessibility and bioactivity, yielding chemically diverse candidates with enhanced properties.
Yuwei Yang, Xiaoqing Gong, Shukai Gu, Jing Li, Bo Liu, Yanan Tian, Qianqian Zhang, Xiaojun Yao, Huanxiang Liu   +8 more
wiley   +1 more source

Quantum-chemistry informed Bayesian optimization for the accelerated discovery of novel pyrazole-based energetic materials

Artificial Intelligence Chemistry
Developing high-performance Energetic Materials (EMs) with small environmental footprint remains a critical challenge for both civilian and military applications.
Muktar Musa Ibrahim, Adamu Uzairu, Gideon Adamu Shallangwa, Muhammad Tukur Ibrahim   +3 more
doaj   +1 more source

Multi‐Stimuli‐Responsive Hydrogen‐Bonded Organic Frameworks Nanocarriers Enable Targeted Fungicide Release and Plant Immune Regulation

Advanced Science, EarlyView.
A fluorinated hydrogen‐bonded organic framework nanocarrier (PFC‐1‐F) loaded with PYR and coated with HACC enables multi‐stimuli‐responsive (enzyme/ROS/pH) release at infection sites. Exhibiting targeted antifungal activity against Sclerotium rolfsii, modulating plant antioxidant defense, and demonstrating favorable biosafety across plant, soil, and ...
Guangming Ma, Ying Zou, Yao Wang, Huiyan Li, Jinlin Li, Tianfu Liu, Xiaohong Pan   +6 more
wiley   +1 more source

A new polyazomethine-based pyrazole moiety and its reinforced nanocomposites @ ZnO for antimicrobial applications

Designed Monomers and Polymers
A new class of biologically active polyazomethine/pyrazole and their related nanocomposites, polyazomethine/pyrazole/zinc oxide nanoparticles, have been successfully synthesized through the polycondensation technique in the form of polyazomethine ...
Aqilah A. Hakami, Hajar S. Alorfi, Thoraya A. Farghaly, Mahmoud A. Hussein   +3 more
doaj   +1 more source

Aziridinierung eines einzelnen Kohlenstoffatoms in Alkenen mittels Energietransferkatalyse

Angewandte Chemie, EarlyView.
Im Gegensatz zur traditionellen Alken‐Aziridinierung über (formalen) Nitren‐Transfer berichten wir hier über eine Strategie zur intermolekularen Aziridinierung eines einzelnen Alken‐Kohlenstoffatoms bei zusätzlicher Funktionalisierung der anderen Position. Durch Energietransfer‐ (EnT‐)Katalyse werden Alkenylboronate und ‐silane in reaktive Intermediate
Fritz Paulus, Corinna Heusel, Felix H. Wessels, Bünyamin Sikora, Maik G. Niedziella, Kilian van der Beck, Constantin G. Daniliuc, Frank Glorius   +7 more
wiley   +1 more source

Aziridination of a Single Carbon Atom in Alkenes via Energy Transfer Catalysis

Angewandte Chemie International Edition, EarlyView.
Contrary to traditional alkene aziridination via (formal) nitrene transfer, we herein report a strategy that achieves intermolecular aziridination of a single alkene carbon atom and installs an additional group at the other. Enabled by metal‐free energy transfer (EnT) catalysis, alkenyl boronates and silanes are transformed into reactive intermediates ...
Fritz Paulus, Corinna Heusel, Felix H. Wessels, Bünyamin Sikora, Maik G. Niedziella, Kilian van der Beck, Constantin G. Daniliuc, Frank Glorius   +7 more
wiley   +1 more source

Crystal structure and molecular docking studies of new pyrazole-4-carboxamides

Heterocyclic Communications, 2019
Two pyrazol-4-carboxamides, 3-(difluoromethyl)-N-(mesitylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxa-mide (7a) and 3-(difluoromethyl)-N-((3,5-dimethylphenyl) carbamoyl)-1-methyl-1H-pyrazole-4-carboxamide (7b) were synthesized and their structures were ...
Qiao Li, Cai Peng-Peng, Shen Zhong-Hua, Wu Hong-Ke, Tan Cheng-Xia, Weng Jian-Quan, Liu Xing-Hai   +6 more
doaj   +1 more source