Results 11 to 20 of about 92,560 (238)

Developments and challenges in hit progression within fragment-based drug discovery [PDF]

Nature Communications
Fragment-based Drug Discovery (FBDD) is a proven methodology for the discovery of new therapeutics. After the identification of small molecular fragments, subsequent steps are guided by the “Design, Make, Test” (DMT) cycle.
Harold Grosjean, Philip C. Biggin
doaj   +2 more sources

The rise of NMR-integrated fragment-based drug discovery in China [PDF]

Magnetic Resonance Letters
Nuclear magnetic resonance (NMR) spectroscopy is an indispensable tool to probe weak protein-ligand interactions, which are key to the hit identification and hit-to-lead evolution in fragment-based drug discovery (FBDD). The integration of NMR technology
Zihuan Li, Lei Wang, Jia Gao, Ke Ruan
doaj   +2 more sources

Targeting the Initiator Protease of the Classical Pathway of Complement Using Fragment-Based Drug Discovery [PDF]

Molecules, 2020
The initiating protease of the complement classical pathway, C1r, represents an upstream and pathway-specific intervention point for complement-related autoimmune and inflammatory diseases.
Blake R. Rushing, Denise L. Rohlik, Sourav Roy, D. Andrew Skaff, Brandon L. Garcia   +4 more
doaj   +2 more sources

Applications of 19F-NMR in Fragment-Based Drug Discovery [PDF]

Molecules, 2016
19F-NMR has proved to be a valuable tool in fragment-based drug discovery. Its applications include screening libraries of fluorinated fragments, assessing competition among elaborated fragments and identifying the binding poses of promising hits.
Raymond S. Norton, Eleanor W. W. Leung, Indu R. Chandrashekaran, Christopher A. MacRaild   +3 more
doaj   +2 more sources

Applied Biophysical Methods in Fragment-Based Drug Discovery [PDF]

SLAS Discovery, 2020
Fragment-based drug discovery (FBDD) has come of age in the last decade with the FDA approval of four fragment-derived drugs. Biophysical methods are at the heart of hit discovery and validation in FBDD campaigns. The three most commonly used methods, thermal shift, surface plasmon resonance, and nuclear magnetic resonance, can be daunting for the ...
Reto Walser
exaly   +3 more sources

In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery

Frontiers in Chemistry, 2020
Fragment-based drug (or lead) discovery (FBDD or FBLD) has developed in the last two decades to become a successful key technology in the pharmaceutical industry for early stage drug discovery and development.
Lauro Ribeiro de Souza Neto, José Teófilo Moreira-Filho, Bruno Junior Neves, Bruno Junior Neves, Rocío Lucía Beatriz Riveros Maidana, Rocío Lucía Beatriz Riveros Maidana, Ana Carolina Ramos Guimarães, Nicholas Furnham, Carolina Horta Andrade, Floriano Paes Silva   +9 more
doaj   +3 more sources

Fragment-based drug discovery for disorders of the central nervous system: designing better drugs piece by piece [PDF]

Frontiers in Chemistry
Fragment-based drug discovery (FBDD) has emerged as a powerful strategy to confront the challenges faced by conventional drug development approaches, particularly in the context of central nervous system (CNS) disorders.
Bill W. G. L. Chan, Nicholas B. Lynch, Wendy Tran, Jack M. Joyce, G. Paul Savage, Wim Meutermans, Andrew P. Montgomery, Michael Kassiou   +7 more
doaj   +2 more sources

Applications of Solution NMR in Drug Discovery

Molecules, 2021
During the past decades, solution nuclear magnetic resonance (NMR) spectroscopy has demonstrated itself as a promising tool in drug discovery. Especially, fragment-based drug discovery (FBDD) has benefited a lot from the NMR development.
Li Shi, Naixia Zhang
doaj   +1 more source

Fragment‐Based Drug Discovery for RNA Targets

ChemMedChem, 2021
AbstractRapid development within the fields of both fragment‐based drug discovery (FBDD) and medicinal targeting of RNA provides possibilities for combining technologies and methods in novel ways. This review provides an overview of fragment‐based screening (FBS) against RNA targets, including a discussion of the most recently used screening and hit ...
Kasper P. Lundquist, Vipul Panchal, Charlotte H. Gotfredsen, Ruth Brenk, Mads H. Clausen   +4 more
openaire   +2 more sources

Fragment-Based Drug Discovery [PDF]

, 2021
Fragment-based drug discovery is a rapidly evolving area of research, which has recently seen new applications in areas such as epigenetics, GPCRs and the identification of novel allosteric binding pockets. The first fragment-derived drug was recently approved for the treatment of melanoma.
openaire   +2 more sources