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Qiu-Shi Liu

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Open access Aug 2026

Integrated computational and experimental evaluation of natural products targeting PGM/AlgC and HisIE in multidrug-resistant respiratory pathogens

Background The increasing prevalence of multidrug-resistant (MDR) Gram-negative respiratory pathogens has reduced the effectiveness of conventional antimicrobial therapies and created a need for antibacterial strategies targeting bacterial metabolic and virulence-associated functions. AlgC, a phosphomannomutase/phospho...

Zhe Wang, Wei Lu, Bing Li et al. · Frontiers in Microbiology · 0 citations

Sep 2026

Computational identification of candidate ST2-binding bioactive compounds as putative modulators for severe type 2-high asthma.

Hesperetin was prioritized as a putative ST2-binding candidate based on its favorable predicted docking score, generally acceptable SwissADME profile, and recurring docking-derived interaction pattern within the selected ST2 pocket, and density functional theory analysis indicated a moderate HOMO-LUMO energy gap.

Bo-Ning Sun, Kuen-Zhi Li, De-Gan-Hang-Xian-Chen Z. H. Ao et al. · Computational biology and ch... · 0 citations