Screening and collection of active components in JLD

The active components of herbs in JLD were collected from Traditional Chinese Medicine System Pharmacology Database and Analysis platform (TCMSP, http://old.tcmspw-e.com/tcmsp.php, Version: 2.3) and Bioinformatics Analysis Tool for Molecular Mechanisms of Traditional Chinese Medicine Database (BATMAN-TCM, http://bionet.ncpsb.org.cn/batman-tcm/, Version:1). Meanwhile, literatures during 2005–2024 were retrieved with “Jinlida” as the keywords for the components of JLD. Absorption, distribution, metabolism and excretion (ADME) are important indices for bioactivities of drugs. In TCMSP database, ADME-related parameters including oral bioavailability (OB) ≥ 30% and drug-likeness (DL) ≥ 0.18 were used to select active components in JLD¹⁶. If the components of herbs that cannot be obtained in TCMSP database, their structures were downloaded from PubChem (http://pubchem.ncbi.nlm.nih.gov, updated July 01, 2019) and were further analyzed in SwissADME database (http://swissadme.ch, updated May, 2022). Those with high gastrointestinal (GI) absorption and two or more “Yes” in DL parameters were chosen as active components⁵³.