By Ziwei Huang
Submit Genomics Drug Discovery and learn explores and discusses the most vital issues in post-genomics lifestyles and biopharmaceutical sciences. It offers an creation to the sphere, outlining examples of many ideas presently used, in addition to these nonetheless less than improvement, that are very important for the examine of biopharmaceutical discovery within the post-genomics period.
- Integrates a number of constructing and state of the art applied sciences and techniques like bioinformatics, experimental therapeutics, and molecular recognition
- Includes dialogue on themes comparable to: computer-aided ligand layout; peptide and protein chemistry and synthesis; synthesis of lively normal items; and using rising applied sciences like proteomics, nanotechnology, or bioengineering.
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Extra info for Drug Discovery Research: New Frontiers in the Post-Genomic Era
FEBS Lett 502, 93–97. Pearlman, D. , Case, D. , Caldwell, J. , Ross, W. , Cheatham, T. , and Kollman, P. (1995). Amber, a package of computer programs for applying molecular mechanics, normal-mode analysis, molecular dynamics and free-energy calculations to simulate the structural and energetic properties of molecules. Comput Phys Comm 91, 1–41. Pickett, S. , Sherborne, B. , and Jones, P. S. (2003). Discovery of novel low molecular weight inhibitors of impdh via virtual needle screening. Bioorg Med Chem Lett 13, 1691–1694.
1, and a structural model for the complex of HA14-1 with the Bcl-2 surface pocket as predicted by computer docking calculations is shown in Fig. 2. Apoptosis induced by HA14-1 in HL-60 cells is characterized by activation of caspase protease and loss of Ácm . This was the ﬁrst small-molecule ligand identiﬁed for this family of proteins, and this identiﬁcation opened new avenues for the development of anticancer agents targeting members of this family of proteins. , 2001), starting with a homology model of Bcl-2.
Consensus scoring combines the information from different scores to balance errors in individual scores, reduces the number of false positives identiﬁed by individual scoring functions, and improves the odds of identifying the true ligands. 1 Typical receptor-based virtual screening scheme consisting of many steps in repeated cycles. (A) Small-molecule database preparation: Choose library, strip counterions, add H-atoms, check/ﬁx valency problems, protonate at physiological pH, calculate 2D properties, convert to 3D, energy minimize small molecule.
Drug Discovery Research: New Frontiers in the Post-Genomic Era by Ziwei Huang