Results 201 to 210 of about 109,018 (245)

Research progress of artificial intelligence in high-throughput drug screening. [PDF]

Front Pharmacol
Liu X, Ren X, Li P, Li X, Ren X, Sui C, Zhou H, Luo F, Tao L.   +8 more
europepmc   +1 more source

Expanding the Palette of Molecular Fragments for Small Molecule De Novo Design Through Isosteric Swapping. [PDF]

J Comput Chem
Pak S, Rizzo RC.
europepmc   +1 more source

Constructing and characterizing trillion-scale combinatorial chemical library. [PDF]

J Cheminform
Su J, Song FV, Huang D, Liao M.
europepmc   +1 more source

In Silico Drug Design and Discovery: Big Data for Small Molecule Design-2nd Edition. [PDF]

Biomolecules
Cerchia C, Lavecchia A.
europepmc   +1 more source

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Synthesis and Applications of Small Molecule Libraries

Chemical Reviews, 1996
One of the initial steps in the development of therapeutic agents is the identification of lead compounds that bind to the receptor or enzyme target of interest. Many analogs of these lead compounds are then synthesized to define the key recognition elements for maximal activity.
Jonathan Ellman, Jonathan A Ellman*
exaly   +3 more sources

Small-molecule discovery through DNA-encoded libraries

Nature Reviews Drug Discovery, 2023
The development of bioactive small molecules as probes or drug candidates requires discovery platforms that enable access to chemical diversity and can quickly reveal new ligands for a target of interest. Within the past 15 years, DNA-encoded library (DEL) technology has matured into a widely used platform for small-molecule discovery, yielding a wide ...
David Liu, Alexander Peterson, Liu David R   +2 more
exaly   +3 more sources

Aminomethylhydroxylation of alkenes: Exploitation in the synthesis of scaffolds for small molecule libraries

Bioorganic and Medicinal Chemistry, 2015
The application of [4+2] cycloadditions between alkenes and an N-benzoyl iminium species, generated in situ under acidic conditions, is described in the synthesis of diverse molecular scaffolds. The key reaction led to the formation of cyclic imidates in good yield and with high regioselectivity.
Ignacio Colomer, Tuomo Kalliokoski
exaly   +4 more sources

Identification of CXCR3 receptor agonists in combinatorial small-molecule libraries

Biochemical and Biophysical Research Communications, 2006
In a high-throughput screen of four million compounds from combinatorial libraries for small-molecule modulators of the chemokine receptor CXCR3, two classes of receptor agonists, based on tetrahydroisoquinoline and piperidinyl diazepanone templates, were identified.
Kenneth C Appell, Andrew G Cole, Marc-Raleigh Brescia   +2 more
exaly   +3 more sources

Yeast as a Model in High‐Throughput Screening of Small‐Molecule Libraries

2013
High-throughput screenings based on the use of chemical genetic approaches to Saccharomyces cerevisiae do allow for the selection of chemical compounds able to modulate a phenotype selected from the yeast model. The synthesis of large chemical libraries led to the ideation of a new approach (chemical genetics) free of the limitations associated with ...
Duccio Cavalieri, De Filippo C, Irène Stefanini   +2 more
exaly   +3 more sources

Design, Synthesis, and Evaluation of Small-Molecule Libraries

Accounts of Chemical Research, 1996
Jonathan Ellman
exaly   +2 more sources