Finally, Hopkins and co-workers used their method to predict the drug-likeness of 167,045 ligand compounds that bind to 1,729 proteins (on the basis of binding information from ChEMBL, a database of biologically active compounds11).
Then, using the compounds that bind well (levels 4 and 5), a second factor was found defining binding Specificity.
Compounds that bind the protein will give positive peaks whereas peaks generated from non-binding compounds will be negative in the waterLOGSY spectrum.
Fragments are typically <250 Da compounds that bind to proteins with weak affinity but high ligand efficiency.
As anticipated from the many parts that CA plays during replication, compounds that bind CA can disrupt HIV-1 replication at several distinct steps, making them worthy of further development.
Often included in antiviral therapy, NNRTIs are chemically diverse compounds that bind an allosteric pocket of enzyme target reverse transcriptase (RT).
Comparison of protein expression levels of 2 – 10 sample types is made with heavy isotope-labeled functional groups of isobaric compounds that bind to peptide free amines [64].
Other compounds that bind TrpRS were NSC50690 and NSC55152, having KDs of 7.7 μM and 39.6 μM, respectively (Additional file 1: Table S4).
An important part of the drug discovery process is lead identification, where compounds that bind to a selected target protein are identified.
These molecules are named melanocortins, which are peptidic compounds that bind to melanocortin receptors.
10.7554/eLife.00857.013 Figure 3. Experimental characterization of compounds that bind to amyloid fibers.
