Structure-Based Design of N-(5-Phenylthiazol-2-yl)acrylamides as Novel and Potent Glutathione S-Transferase Omega 1 Inhibitors.

Using reported glutathione S-transferase omega 1 (GSTO1-1) cocrystal structures, we designed and synthesized acrylamide-containing compounds that covalently bind to Cys32 on the catalytic site. Starting from a thiazole derivative 10 (GSTO1-1 IC = 0.6 μM), compound 18 was synthesized and cocrystallized with GSTO1.

[Cp*Rh ]/Ionic Liquid as a Highly Efficient and Recyclable Catalytic Medium for C-H Amidation.

A [Cp*Rh ]-catalyzed direct C-H amidation is carried out in ionic liquid. Both C(sp )-H bonds of (hetero)arenes and alkenes and unactivated C(sp )-H bonds can be easily amidated with high functional-group tolerance and excellent yields under these conditions. Notably, using [Cp*Rh ]/[BMIM]BF (BMIM=1-butyl-3-methylimidazolium) as the green and recyclable medium is environmentally benign, in light of characteristics such as the reusability of the expensive rhodium catalyst, avoidance of highly toxic organic solvents, and mild reaction conditions, as well as a short reaction time.

Synthesis, Structure-Activity Relationship Studies, and ADMET Properties of 3-Aminocyclohex-2-en-1-ones as Chemokine Receptor 2 (CXCR2) Antagonists.

Herein we describe the synthesis and structure-activity relationships of 3-aminocyclohex-2-en-1-one derivatives as novel chemokine receptor 2 (CXCR2) antagonists. Thirteen out of 44 derivatives were found to inhibit CXCR2 downstream signaling in a Tango assay specific for CXCR2, with IC values less than 10 μm. In silico ADMET prediction suggests that all active compounds possess drug-like properties.

Self-reference chemical profiling in the comprehensive dissolution test of herbal medicines.

The power of chemical profiling in characterizing the samples' chemical pools has greatly raised the interests of phytomedicine researchers. Unfortunately, the semi-quantitative nature of chemical profiling retards its exploration into the dissolution test of herbal medicines, which is a crucial quantitative measure to evaluate and control the in vitro releasing properties as the prerequisite for biomembrane permeation of herbal constituents. Here, a method integrating chemical profiling approach and self-reference strategy is developed for the purpose of dissolution test of herbal medicines.