Decoding Chemical Profiles, Biological Functions, and Medicinal Properties of Liquidambar orientalis Extracts Through Molecular Modeling and Bioinformatic Methods

• DOI: 10.1002/fft2.545
• Publication Date: 2025-02-11T08:22:19Z
• Authors: Mehmet Cengiz Bal...; Lutfiye Yildiz Ozer; Buket Pirci; Yasemin Celik Alt...; Sanam Iram Soomro; Gokhan Zengin; Mehmet Veysi Cetiz; Simone Carradori; Zoltán Cziáky; József Jekő

ABSTRACT Liquidambar orientalis , the Anatolian sweetgum tree, is a relict and endemic species in Southwestern Turkey, traditionally used for therapeutic purposes. Our study comprehensively evaluated potential of L. extracts from its aerial parts to maximize bioactive compound extraction using methanol, ethyl acetate, water as solvents. The methanolic extract exhibited highest phenolic (73.04 ± 3.94 mg gallic acid equivalent [GAE]/g) flavonoid content (48.86 0.76 rutin [RE]/g), demonstrating superior antioxidant activity 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) (256.61 1.70 Trolox [TE]/g), 2,2′‐azinobis‐(3‐ethylbenzothiazoline‐6‐sulfonic acid) (ABTS) (308.41 3.14 TE/g), cupric ion–reducing capacity (CUPRAC) (411.13 8.48 TE/g) assays. It also showed significant enzyme inhibition acetylcholinesterase (4.43 0.09 galanthamine [GALAE]/g), tyrosinase (149.16 1.14 kojic [KAE]/g), amylase (0.93 0.02 mmol acarbose [ACAE]/g), glucosidase (1.60 0.01 ACAE/g), suggesting applications neurodegenerative disease management, skincare, diabetes treatment. Furthermore, methanol displayed promising antimicrobial due compounds such chlorogenic methyl‐3‐ O ‐caffeoyl quinate. potent anticancer effects against lung cancer (A549) cells, with reductions cell viability induction autophagy. aqueous remarkable efficacy prostate (PC3) modulating apoptosis markers. Breast cells (MDA‐MB‐231) differential responses, acetate promoting extract–enhancing molecular docking dynamics simulations provided additional evidence supporting key phytochemicals particularly afzelin epigallocatechin, cancer‐related targets bacterial enzymes. Overall, this fills gap understanding inhibitory diverse extracts, highlighting multi‐targeted applications, therapy.