A novel strategy by integrating chemical profiling, molecular networking, chemical isolation, and activity evaluation to target isolation of potential anti-ACE2 candidates in Forsythiae Fructus.

Background: Traditional Chinese medicine (TCM) is regarded as a large database containing hundreds to thousands of chemical constituents that can be further developed as clinical drugs, such as artemisinin in Artemisia annua. However, effectively exploring novel candidates is still a challenge faced by researchers.

Purpose: In this work, an integrated strategy combining chemical profiling, molecular networking, chemical isolation, and activity evaluation (CMCA strategy) was proposed and applied to systematically characterize and screen novel candidates, and Forsythiae fructus (FF) was used as an example.

A new diterpernoid glycoside from the fruit of .

One new diterpernoid glycoside, lanceolatinoside A (), together with one known iridoid glycoside, luzonoside C () were isolated from the fruit of . The structure of the new compound () was elucidated through 1 D and 2 D NMR spectroscopic data, and HR-ESIMS. Compound was identified as luzonoside C () on the basis of NMR spectroscopic data analyses and comparison with those reported in the literature.

Two new furofuran lignan glycoside derivatives from the fruit of .

Phytochemical investigation of 95% ethanol extract of the fruit of resulted in the isolation of two new furofuran lignan glycoside derivatives pinoresinoside A () and phillyrigeninside A (), along with three known ones. Their structures were established based on extensive spectroscopic data analyses and comparison with literature data. Absolute configuration of was determined by CD method.