The design, synthesis, and anti-inflammatory evaluation of a drug-like library based on the natural product valerenic acid

摘要: Abstract The plant natural product, valerenic acid (1) was chosen as a desirable scaffold for the generation of novel screening library due to its drug-like physicochemical parameters (such Log P, hydrogen bond donor/acceptor counts, and molecular weight). An 11-membered amide (2–12) subsequently generated using parallel solution-phase synthesis Ghosez’s reagent. chemical structures all semi-synthetic analogues were elucidated following analysis NMR, MS, UV IR data. compounds 8 11 also confirmed by X-ray crystallographic analysis. All members evaluated their ability inhibit release IL-8 TNF-α. Six showed moderate activity in assay with IC50 values 2.8–8.3 μM, while none tested any significant effect on inhibiting TNF-α release.