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An important part of the drug discovery process is lead identification, where compounds that bind to a selected target protein are identified.
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Aptamers, single-stranded oligonucleotides that bind with high affinity and high selectivity to a selected target such as a protein, a small molecule, or a metal ion, are increasingly used in therapeutics, diagnosis, and detection.
By using the "Target Gene Name" query the user can retrieve all intragenic miRNAs predicted to bind the selected target gene.
Atomwise will computationally analyze millions of diverse small molecules for each of Pfizer's identified target proteins using its cutting-edge AI platform to predict those that may bind with high affinity to the selected target proteins.
Besides pointing to PRC2-regulated selected target genes, ChIP (chromatin immunoprecipitation) revealed that the PRC2 complex directly binds to the promoter region and represses PCAT-1, and RIP (RNA immunoprecipitation) showed that PCAT-1 transcript reciprocally binds PRC2 in a feedback inhibition loop [ 24].
In DARPins that have been selected to bind to a designated target, the residues that do not form the binding site are conserved, whereas the residues that form the binding site are derived from randomised sequences.
Peptide aptamers comprise a new class of molecules, with a peptide moiety of randomized sequence, which are selected for their ability to bind to a given target protein under intracellular conditions.
Nucleic-acid aptamers, which are normally selected from a large random-sequence pool to bind to a specific target molecule, have been explored for targeted siRNA delivery as an alternative to antibodies.
Because an α,β-unsaturated moiety can bind to a molecular target covalently, these compounds might induce a Ca2+ influx via covalent binding to the target.
In novel drug design, compounds are usually engineered to bind to a specific target, with the assumption that one drug binds to one target to treat one condition.
For example, pharmaceutical companies are discovering more and more cases in which multiple drugs bind to a given target (promiscuous targets) and in which a given drug binds to more than one target (promiscuous ligands).
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