Fragment-based Drug Discovery
When fragments link : a bibliometric perspective on the development of fragment-based drug discovery
... Abstract Fragment-based drug discovery (FBDD) is a highly interdisciplinary field, rich in integrating ideas from pharmaceutical sciences, chemistry, biology and physics, amongst ...design, ...
24
Fragment-based drug discovery
... • Develop novel SPR biosensor-based FBDD fragment screening cam- paigns incorporating a series of challenging targets, characterized by underrepresented target classes or binding modal[r] ...
60
Native Mass Spectrometry in Fragment-Based Drug Discovery
... putative fragment hits, which were identified by screening a 361-member fragment library against endothiapepsin using six different screening methods (biochemical assay, reporter-displacement assay, ...
16
Synthesis of a 1,2,4-substituted imidazole for a Fragment-Based Drug Discovery Library
... in Drug Discovery An important motif in drug design are heterocycles—cyclic arrangements of atoms containing elements other than just carbon and hydrogen, such as oxygen, nitrogen, and ...marketed ...
48
Hot Spot Analysis for Driving the Development of Hits into Leads in Fragment-Based Drug Discovery
... As shown by the case studies considered here, the secondary hot spots identified by the computational mapping reveal whether the core fragment can be expanded and, if so, into which directions. Results also show ...
11
Design Principles for Fragment Libraries: Maximizing the Value of Learnings from Pharma Fragment-Based Drug Discovery (FBDD) Programs for Use in Academia
... X-ray based FBDD experiments. One point of debate in fragment library design is whether fragment libraries should be target- directed or ...during fragment to lead optimization and ...
79
Application of Fragment-Based Drug Discovery to Membrane Proteins: Identification of Ligands of the Integral Membrane Enzyme DsbB
... Second, there is a range of potencies in the enzyme inhibition studies that includes a small number of noninhibitors and activa- tors. Third, and perhaps more critically, inhibition is saturable and occurs over 2 log ...
11
Fragment based drug discovery for SOD1-ALS and solution X-ray scattering studies on the copper chaperone for SOD1 (hCCS)and its functional complexes with SOD1
... oligonucleotides able to bind nascent SOD1 mRNA, prevent translation and increase survival time in rat G93A models after direct infusion into the ventricular system have been documented 97 . Phase I clinical trials are ...
174
In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery.
... 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 ...
19
Fragment-based lead discovery on G-protein-coupled receptors
... applying fragment-based drug discovery are specific identification of substantially lower affinity on-target interactions and assessment of development propensity of low complexity ...
18
Predicting drug side-effect profiles: a chemical fragment-based approach.
... the drug development process. At early stages, among several active drug can- didates, the method could help to choose the molecules that should further continue the process and those that should be ...
14
Molecular Fragment Mining for Drug Discovery
... Abstract. The main task of drug discovery is to find novel bioactive molecules, i.e., chemical compounds that, for example, protect human cells against a virus. One way to support solving this task is to ...
12
FRAGMENT-BASED LEAD DISCOVERY
... oral drug candidate entering development, they are not necessarily as relevant for assessing the optimum properties of a ...prising drug-like compounds, with higher M r and ...possesses drug-like ...
13
Drug discovery in cancer research: hit identification using a fragment-based by NMR approach
... possible drug target is hampered by the lack of suitable pharmacological ...guided fragment screening revealed potentially interesting fragment hit ...
108
Activity-Directed Fragment-Based Ligand Discovery
... during drug discovery. Early-stage drug discovery is initiated by a variety of ...structure- based drug design ...in drug discovery and generates series of hit ...
215
Fragment-based QSAR: perspectives in drug design
... of drug discovery [ 1 – 3 ...new drug candidates pos- sessing a combination of optimized pharmacodynamic and pharmacokinetic ...advances, drug discovery has become more expensive and ...
10
Fragment-based lead discovery: a chemical update Daniel A Erlanson
... of fragment-based lead discovery is shown in Figure 1 ...initial fragment that binds to a protein of interest is identified, it is either elaborated or combined with other fragments to ...
10
A decade of fragment-based drug design: strategic advances and lessons learned
... used fragment-based drug design in the development of 14 highly potent (IC 50 < 100 nM) inhibitor series against various protein targets (TABLE 1) ...of fragment-based screening has ...
10
Fragment-based discovery of subtype-selective adenosine receptor ligands from homology models
... the discovery of eight fragment ligands, of which six displayed the desired subtype ...two fragment hits were only marginally more potent at the A 3 AR than at the A 1 subtype, suggesting that ...
14
Fragment based discovery of subtype selective adenosine receptor ligands from homology models
... the discovery of eight fragment ligands, of which six displayed the desired subtype ...two fragment hits were only marginally more potent at the A 3 AR than at the A 1 subtype, suggesting that ...
13