Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity

Peng, Cheng‐Liang; Li, Yu-Hsuan; Yu, Chih-Sheng; Cheng, Ze-Hua; Liu, Jia-Rong; Hsu, Jung Mao; Hsin, Ling‐Wei; Huang, Chen-Tsung; Juan, Hsueh‐Fen; Chern, Ji‐Wang; Cheng, Ya-Jung

doi:10.1016/j.bioorg.2021.104813

Cited by 3 publications

(2 citation statements)

References 64 publications

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“…However, there are no table entries for papers targeting proteases, the first time this target class has not been represented. In contrast, there are more examples of GPCR case studies in Table than in previous years (entries 26, 27, and 28), including the description of the discovery of the M1 agonist clinical compound HTL9936 (entry 28). …”

Section: Resultsmentioning

confidence: 99%

Fragment-to-Lead Medicinal Chemistry Publications in 2021

Walsh¹,

Erlanson²,

Esch

et al. 2023

J. Med. Chem.

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This Perspective is the seventh in an annual series that summarizes successful Fragment-to-Lead (F2L) case studies published in a given year. A tabulated summary of relevant articles published in 2021 is provided, and features such as target class, screening methods, and ligand efficiency are discussed, both for the 2021 examples and for the combined examples over the years 2015−2021. In addition, trends and new developments in the field are summarized. In particular, the use of structural information in fragment-based drug discovery is discussed.

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Section: Resultsmentioning

confidence: 99%

Fragment-to-Lead Medicinal Chemistry Publications in 2021

Walsh¹,

Erlanson²,

Esch

et al. 2023

J. Med. Chem.

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“…High-throughput screening applying Lipinsky’s “rules of five” in structure–activity relationship studies combined with computational analyses and robotics is a frequently used methodology to identify the most promising compounds during drug discovery of low-molecular-weight targets in a fairly short period of time. The method also allows identification of specific positions in the low-molecular-weight targets for modifications to achieve desired properties, such as water − or fat solubility, − altered binding affinity by the modified strength of H-bonds, − and others.…”

Section: Introductionmentioning

confidence: 99%

Nanogel Catalysts for the Hydrolysis of Underivatized Disaccharides Identified by a Fast Screening Assay

Sharma

Striegler

2023

ACS Catal.

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Applying high-throughput synthetic and screening methods for the development of catalytic micro- and nanogels remains challenging due to the nature of the workflow. Typical procedures require the preparation of stable miniemulsions, followed by radical polymerization, purification of the obtained gels by extensive extraction or dialysis, and subsequent characterization of physical properties and examination of desired functions. To streamline the process, we altered the gel synthesis procedure and developed a screening protocol to identify gel compositions with the desired catalytic function. The assays identify five out of 50 synthesized gels from eight different cross-linkers with high potential to hydrolyze carbohydrates. A catalytic proficiency (k cat/K M × k non) of up to 1.4 × 106 and gel activity of 0.8 μmol h–1 mg–1 were observed placing the synthesized gels among the most proficient catalysts known for the hydrolysis of nonactivated glycosidic bonds.

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