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.· The Innovation Medicine· 0 citations
In view of the problems of frequent path conflicts and low planning efficiency in collaborative operations of multiple robots in dense environments such as warehousing and logistics, an improved A* path planning method that integrates spatiotemporal extension and directional guidance is proposed. Based on the tradition...
Xu Jiang, Bin Jiang, Yi Ren et al.· International Conference on...· 0 citations
This review highlights the “substrate envelope hypothesis”, a structure-based drug design (SBDD) paradigm that constrains the spatial boundaries and binding footprint of inhibitors within the conserved active site volume defined by natural viral substrates, and extends this strategy from traditional protease targets to...
Three effective countermeasures have been established: structure-based optimization of Mpro inhibitors, rational design of ExoN-evading nucleoside analogues, and synergistic combination therapies to combat emerging resistant SARS-CoV-2 variants.
Xianghan Bai, Bing Ye, Sheng-Hua Gao et al.· Molecules· 0 citations
The discovery and optimization of a novel series of piperazine-based Mpro inhibitors using a multi-site binding strategy guided by analysis of conserved residues within the coronavirus Mpro active sites are reported, highlighting the utility of structure-based design for the development of promising broad-spectrum anti...
Bing Ye, Myoung Kyu Lee, Letian Song et al.· European journal of medicina...· 0 citations
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.· Journal of Medicinal Chemist...· 0 citations
Future paradigms must break away from standalone F13 monotherapy and transition toward combination regimens, such as pairing F13 blockers with host-targeting entry/uncoating inhibitors─or developing multitarget inhibitors that interrupt the viral life cycle prior to IMV maturation by targeting DNA polymerase or transcr...
Le Wang, Tao Zhang, Jie Guo et al.· Journal of Medicinal Chemist...· 1 citation
This work pioneers the development of CA-targeted degraders, providing a framework for next-generation anti-HIV therapies with high potency and resistance barriers, via a proteasome-driven pathway.
Mei Wang, Ze-Yu Peng, Yang Zhou et al.· Journal of Medicinal Chemist...· 0 citations
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