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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Peng Zhan

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Review Open access 2026

Innovation-driven drug discovery: Frontier exploration and breakthrough

The progress of drug discovery to the market typically requires 12 to 15 years, during which substantial financial investments are continuously made for various research and testing activities. The complexity and multifactorial nature of the disease, the complexity of the drug development process, the size of the chemi...

Shao-Qing Du, Xue-Ping Hu, E. De Clercq et al. · 0 citations
Sep 2026

Small-Molecule Antivirals against Severe Fever with Thrombocytopenia Syndrome Virus: From Viral Life Cycle Targets to Host-Directed Strategies

This perspective critically evaluates recent advances in the development of small-molecule anti-SFTSV agents, organized through a dual framework encompassing both viral life cycle targets and host-dependent pathways.

Zhou Tan, Ji-Wei Zhang, Chun-Hong Yin et al. · 0 citations
#protein folding Sep 2026

Integrated AI-Driven Multi-Objective Optimization of Sulfamoylbenzamide-Based HBV Capsid Assembly Modulators: Discovery of 11B-6 with Superior Potency and Drug-like Properties

A multi-objective optimization workflow for the NVR 3-778 is reported by integrating structure-based fragment growing with systematic medicinal chemistry optimization, activity prediction, and multitask prediction of drug-like properties to highlight 11B-6 as a promising next-generation HBV CAM.

Shuo Wang, Miao-Chen Xu, Fei-Yue Ma et al. · 0 citations
Review Jul 2026

Exploring Privileged Structure Repurposing: Target Similarity as a Catalyst for Cross-Species Drug Discovery.

Three core medicinal chemistry strategies, including side-chain replacement, conformational constraint, and scaffold hopping, are applied to optimize the lead compound and validate this strategy through representative case studies and summarize key practical challenges: off-target toxicity and difficulties in modifying...

Shaoqing Du, Kai Tang, Jinheng Li et al. · 0 citations

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