Silver threads

Warr, Wendy A.

doi:10.1007/s10822-011-9502-5

Cited by 3 publications

(2 citation statements)

References 14 publications

(15 reference statements)

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“…Also, a fragment hit in a specific hot spot can be extended to interact with other ''hot spots'' and thus the binding affinity of the resulting molecule can be significantly improved. 115 Such high demands for FBDD studies limit the broad application. 91,[102][103][104] Therefore, in the field of PPIs, applications of FBDD are emerging rapidly (Table 3 and Fig.…”

Section: Fragment Screening and Fragment-based Drug Design (Fbdd)mentioning

confidence: 99%

State-of-the-art strategies for targeting protein–protein interactions by small-molecule inhibitors

et al. 2015

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Targeting protein-protein interactions (PPIs) has emerged as a viable approach in modern drug discovery. However, the identification of small molecules enabling us to effectively interrupt their interactions presents significant challenges. In the recent past, significant advances have been made in the development of new biological and chemical strategies to facilitate the discovery process of small-molecule PPI inhibitors. This review aims to highlight the state-of-the-art technologies and the achievements made recently in this field. The "hot spots" of PPIs have been proved to be critical for small molecules to bind. Three strategies including screening, designing, and synthetic approaches have been explored for discovering PPI inhibitors by targeting the "hot spots". Although the classic high throughput screening approach can be used, fragment screening, fragment-based drug design and newly improved virtual screening are demonstrated to be more effective in the discovery of PPI inhibitors. In addition to screening approaches, design strategies including anchor-based and small molecule mimetics of secondary structures involved in PPIs have become powerful tools as well. Finally, constructing new chemically spaced libraries with high diversity and complexity is becoming an important area of interest for PPI inhibitors. The successful cases from the recent five year studies are used to illustrate how these approaches are implemented to uncover and optimize small molecule PPI inhibitors and notably some of them have become promising therapeutics.

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Section: Fragment Screening and Fragment-based Drug Design (Fbdd)mentioning

confidence: 99%

State-of-the-art strategies for targeting protein–protein interactions by small-molecule inhibitors

et al. 2015

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“…Visual programming of the computational execution of sequential operations on a dataset, with each node specifying an operation with options, and the nodes processed sequentially [58]. Note: Examples are KNIME and pipeline pilot.…”

Section: Pipelining Programsmentioning

confidence: 99%

Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)

Martin

Abagyan

Ferenczy

et al. 2016

Pure and Applied Chemistry

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Abstract:Computational drug design is a rapidly changing field that plays an increasingly important role in medicinal chemistry. Since the publication of the first glossary in 1997, substantial changes have occurred in both medicinal chemistry and computational drug design. This has resulted in the use of many new terms and the consequent necessity to update the previous glossary. For this purpose a Working Party of eight experts was assembled. They produced explanatory definitions of more than 150 new and revised terms.

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Recent Advances in the Open Access Cheminformatics Toolkits, Software Tools, Workflow Environments, and Databases

Ambure

Aher

Roy

2014

Methods in Pharmacology and Toxicology

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Silver threads

Cited by 3 publications

References 14 publications

State-of-the-art strategies for targeting protein–protein interactions by small-molecule inhibitors

State-of-the-art strategies for targeting protein–protein interactions by small-molecule inhibitors

Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)

Recent Advances in the Open Access Cheminformatics Toolkits, Software Tools, Workflow Environments, and Databases

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