Fragment‐based drug discovery—the importance of high‐quality molecule libraries
Fragment‐based drug discovery (FBDD) is now established as a complementary approach
to high‐throughput screening (HTS). Contrary to HTS, where large libraries of drug‐like …
to high‐throughput screening (HTS). Contrary to HTS, where large libraries of drug‐like …
Fragment-to-lead medicinal chemistry publications in 2021
L Walsh, DA Erlanson, IJP de Esch… - Journal of medicinal …, 2023 - ACS Publications
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 …
Lead (F2L) case studies published in a given year. A tabulated summary of relevant articles …
Therapeutic target database update 2022: facilitating drug discovery with enriched comparative data of targeted agents
Drug discovery relies on the knowledge of not only drugs and targets, but also the
comparative agents and targets. These include poor binders and non-binders for develo** …
comparative agents and targets. These include poor binders and non-binders for develo** …
Ultrafast Fragment Screening Using Photo-Hyperpolarized (CIDNP) NMR
While nuclear magnetic resonance (NMR) is regarded as a reference in fragment-based
drug design, its implementation in a high-throughput manner is limited by its lack of …
drug design, its implementation in a high-throughput manner is limited by its lack of …
Brief report: Gender identity differences in autistic adults: Associations with perceptual and socio-cognitive profiles
Prior research has shown an elevation in autism traits and diagnoses in individuals seen for
gender related consultation and in participants self-identifying as transgender. To …
gender related consultation and in participants self-identifying as transgender. To …
Fragment-based drug discovery supports drugging 'undruggable'protein–protein interactions
ZZ Wang, XX Shi, GY Huang, GF Hao… - Trends in Biochemical …, 2023 - cell.com
Protein–protein interactions (PPIs) have important roles in various cellular processes, but
are commonly described as 'undruggable'therapeutic targets due to their large, flat …
are commonly described as 'undruggable'therapeutic targets due to their large, flat …
[HTML][HTML] Medicinal chemistry strategies towards the development of non-covalent SARS-CoV-2 Mpro inhibitors
L Song, S Gao, B Ye, M Yang, Y Cheng, D Kang… - … Pharmaceutica Sinica B, 2024 - Elsevier
The main protease (M pro) of SARS-CoV-2 is an attractive target in anti-COVID-19 therapy
for its high conservation and major role in the virus life cycle. The covalent M pro inhibitor …
for its high conservation and major role in the virus life cycle. The covalent M pro inhibitor …
High-throughput activity assay for screening inhibitors of the SARS-CoV-2 Mac1 macrodomain
Macrodomains are a class of conserved ADP-ribosylhydrolases expressed by viruses of
pandemic concern, including coronaviruses and alphaviruses. Viral macrodomains are …
pandemic concern, including coronaviruses and alphaviruses. Viral macrodomains are …
Fragment libraries designed to be functionally diverse recover protein binding information more efficiently than standard structurally diverse libraries
Current fragment-based drug design relies on the efficient exploration of chemical space by
using structurally diverse libraries of small fragments. However, structurally dissimilar …
using structurally diverse libraries of small fragments. However, structurally dissimilar …
[HTML][HTML] The conserved macrodomain is a potential therapeutic target for coronaviruses and alphaviruses
Background: Open Access Perspective The Conserved Macrodomain Is a Potential
Therapeutic Target for Coronaviruses and Alphaviruses by Anthony KL Leung 1, 2, 3, 4 …
Therapeutic Target for Coronaviruses and Alphaviruses by Anthony KL Leung 1, 2, 3, 4 …