Author

Mingzhu Zhao

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Open access Aug 2026

Chemi-Proteome Language Attention Network Empowers Fragment-Based Ligand Interactome and Binding Sites Discovery with Evidence

Deep learning has accelerated drug discovery, yet most existing models are trained using in vitro affinity datasets and consequently remain disconnected from the cellular context in which functional ligand–protein interactions occur. This limitation hinders the ability to reflect the complexity of native interactomes a...

Bing-Song Liao, Ji-Xiao He, Mingzhu Zhao et al. · bioRxiv · 0 citations

Open access Aug 2026

Discovery of Aurora A/HDAC dual-target inhibitors: broad-spectrum in vitro antitumor activity and in vivo pharmacokinetic limitations.

Z20 is a potent Aurora A/HDAC dual-target inhibitor in vitro, while its pharmacokinetic defects limit clinical potential, which highlights the necessity of optimizing pharmacokinetic profiles for translating in vitro potency to in vivo efficacy.

Li-Rong Zhang, Xuewen Zhang, Jie Zhong et al. · RSC Medicinal Chemistry · 0 citations

Open access Jul 2026

Design and synthesis of multi-substituted pyrazole derivatives as potential allosteric inhibitors of 3CLpro.

This work identified a novel 3CLpro allosteric site AS1 via AlloSite and AlloReverse tools and provides novel lead structures and mechanistic insights for developing anti-COVID-19 3CLpro allosteric inhibitors.

Sixian Xu, Xun Lu, MiaoJie Xu et al. · RSC Medicinal Chemistry · 0 citations