Antioxidant activity and 浼?glucosidase inhibitability of Distichochlamys citrea M.F. Newman rhizome fractionated extracts: in vitro and in silico screenings was written by Van Chen, Tran;Cuong, To Dao;Quy, Phan Tu;Bui, Thanh Q.;Van Tuan, Le;Van Hue, Nguyen;Triet, Nguyen Thanh;Ho, Duc Viet;Bao, Nguyen Chi;Nhung, Nguyen Thi Ai. And the article was included in Chemical Papers in 2022.Reference of 706-14-9 This article mentions the following:
Distichochlamys citrea M.F. Newman (commonly known as Black Ginger) is an endemic plant to Vietnam and has been extensively exploited by folk medication for treatments of infection-related diseases and diabetes. In this work, its rhizomes were subjected to fractionated extraction, phytochem. examination, evaluation of antioxidant effect by DDPH free radical neutralization, and inhibitory activity toward 浼?glucosidase. The compositional components were subjected to in silico screening, including d. functional theory calculation, mol. docking simulation, physicochem. anal., and pharmacokinetic regression. In the trials, EtOAc fraction is found as the bioactive part of most effectiveness, regarding both antioxidant effect (IC50 = 90.27 娓璯 mL-1) and 浼?glucosidase inhibitory activity (IC50 = 115.75 娓璯 mL-1). Chem. determination reveals there are 13 components of its composition DFT-based calculations find no abnormal constraints in their structures. Docking-based simulation provides order of inhibitory effectiveness: 3-P53341 > 12-P53341 > 7-P53341 > 4-P53341 > 11-P53341 > 10-P53341. QSARIS-based investigations implicate their biocompatibility. ADMET-based regressions indicate that all candidates are generally safe for medicinal applications. The findings would contribute to the basis for further studies on the chem. compositions of Distichochlamys citrea and their biol. activities. In the experiment, the researchers used many compounds, for example, 5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9Reference of 706-14-9).
5-Hexyldihydrofuran-2(3H)-one (cas: 706-14-9) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Many esters have the potential for conformational isomerism, but they tend to adopt an s-cis (or Z) conformation rather than the s-trans (or E) alternative, due to a combination of hyperconjugation and dipole minimization effects. The preference for the Z conformation is influenced by the nature of the substituents and solvent, if present. Lactones with small rings are restricted to the s-trans (i.e. E) conformation due to their cyclic structure.Reference of 706-14-9
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics