A new α-pyrone from Arthrinium pseudosinense culture medium and its estrogenic activity in MCF-7 cells

New Pimarane Diterpenoids Isolated from EtOAc-Extract of Apiospora arundinis Culture Medium Show Antibenign Prostatic Hyperplasia Potential

“…The absolute configuration was determined using the ECD calculation method. , The computationally calculated ECD spectra of two possible stereoisomers, 1a (4 R ,9 S ,10 S ,13 R ) and 1b (4 S ,9 R ,10 R ,13 S ), were compared with the experimental ECD spectrum; the calculated ECD spectra of 1a was a good fit to the experimental ECD spectrum of 1 (Figure ). Accordingly, the new compound 1 was identified and assigned the trivial name libertellenone U.…”

Advanced Methods for Natural Products Discovery: Bioactivity Screening, Dereplication, Metabolomics Profiling, Genomic Sequencing, Databases and Informatic Tools, and Structure Elucidation

“…DP4+ was introduced in late 2015 by Sarotti and coworkers [ 348 ] as an improvement of DP4, with the inclusion of a geometrical optimization step and the use of a higher level of theory for NMR calculations. The absolute configuration of the novel estrogenic α-pyrone, arthrifuranone A, was established by combining the Mosher’s method and gauge-including atomic orbital NMR chemical shift calculations, followed by DP4+ analysis [ 354 ]. Despite DP4+’s better performance, it requires a higher computational cost, as do other improved methods such as DP4.2 [ 355 ] and DiCE (diastereomeric in silico chiral elucidation) [ 356 ].…”