Oxazole and isoxazole: From one-pot synthesis to medical applications

A Thakur, M Verma, R Bharti, R Sharma - Tetrahedron, 2022 - Elsevier
N, O-containing five-membered heterocycles especially oxazole and isoxazole, have widely
been found in many natural products and drugs with relevant medicinal and pharmaceutical …

Ligand binding free energy and kinetics calculation in 2020

V Limongelli - Wiley Interdisciplinary Reviews: Computational …, 2020 - Wiley Online Library
Ligand/protein binding (LPB) is a major topic in medicine, chemistry and biology. Since the
advent of computers, many scientists have put efforts in developing theoretical models that …

Flavonoids from Whole-Grain Oat Alleviated High-Fat Diet-Induced Hyperlipidemia via Regulating Bile Acid Metabolism and Gut Microbiota in Mice

R Duan, X Guan, K Huang, Y Zhang, S Li… - Journal of Agricultural …, 2021 - ACS Publications
A high-fat diet (HFD) causes hyperlipidemia, which worsens disturbances in bile acid (BA)
metabolism and gut microbiota. This study aimed to investigate the regulation of flavonoids …

[HTML][HTML] Protein–ligand binding with the coarse-grained Martini model

PCT Souza, S Thallmair, P Conflitti… - Nature …, 2020 - nature.com
The detailed understanding of the binding of small molecules to proteins is the key for the
development of novel drugs or to increase the acceptance of substrates by enzymes …

Recent advances in the medicinal chemistry of farnesoid X receptor

Y Fang, L Hegazy, BN Finck… - Journal of Medicinal …, 2021 - ACS Publications
Farnesoid X receptor (FXR) is an important regulator of bile acid, lipid, amino acid, and
glucose homeostasis, hepatic inflammation, regeneration, and fibrosis. FXR has been …

The pathophysiological function of non-gastrointestinal farnesoid X receptor

N Yan, T Yan, Y Xia, H Hao, G Wang… - Pharmacology & …, 2021 - Elsevier
Farnesoid X receptor (FXR) influences bile acid homeostasis and the progression of various
diseases. While the roles of hepatic and intestinal FXR in enterohepatic transport of bile …

Design, synthesis, In-vitro, In-silico and DFT studies of novel functionalized isoxazoles as antibacterial and antioxidant agents

A Arzine, O Abchir, M Chalkha, K Chebbac… - … Biology and Chemistry, 2024 - Elsevier
A series of new isoxazolederivatives incorporating the sulfonate ester function has been
synthesized from 2-benzylidenebenzofuran-3 (2 H)-one, known as aurone. The synthesis of …

[HTML][HTML] Ursodeoxycholic acid induces sarcopenia associated with decreased protein synthesis and autophagic flux

J Orozco-Aguilar, F Tacchi, F Aguirre… - Biological Research, 2023 - Springer
Background Skeletal muscle generates force and movements and maintains posture. Under
pathological conditions, muscle fibers suffer an imbalance in protein synthesis/degradation …

Opposite effects of the FXR agonist obeticholic acid on Mafg and Nrf2 mediate the development of acute liver injury in rodent models of cholestasis

A Carino, M Biagioli, S Marchianò, C Fiorucci… - … et Biophysica Acta (BBA …, 2020 - Elsevier
The farnesoid-X-receptor (FXR) is validated target in the cholestatic disorders treatment.
Obeticholic acid (OCA), the first in class of FXR agonist approved for clinical use, causes …

New thiazolyl‐pyrazoline derivatives bearing nitrogen mustard as potential antimicrobial and antiprotozoal agents

V Cuartas, SM Robledo, ID Vélez… - Archiv der …, 2020 - Wiley Online Library
A new series of N‐substituted pyrazoline derivatives 6a–g, 7a–g, 8a–g, and 9a–g was
synthetized by reaction of hydrazine derivatives and chalcone–thiazole hybrids bearing …