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In structure-based drug design, the three-dimensional structure of a drug target interacting with small molecules is used to guide drug discovery. "Structure-based drug design represents the idea that you can see exactly how your molecule interacts with its target protein.¿This structural information can be obtained with X-ray crystallography or nuclear magnetic resonance spectroscopy (NMR). Originally, structure-based drug design was equated with de novo design or building a molecule from the ground up. Structure-based drug design relies on knowledge of the three dimensional structure of the biological target obtained through methods such as x-ray crystallography or NMR spectroscopy. If an experimental structure of a target is not available, it may be possible to create a homology model of the target based on the experimental structure of a related protein. As experimental methods such as X-ray crystallography and NMR develop, the amount of information concerning 3D structures of biomolecular targets has increased dramatically. Current methods for structure-based drug design can be divided roughly into two categories : Ligand-based drug design & receptor-based drug design.
| Autorius: | Utkarsh Raj, Monika Kumari, S. A. H Naqvi, |
| Leidėjas: | LAP LAMBERT Academic Publishing |
| Išleidimo metai: | 2012 |
| Knygos puslapių skaičius: | 56 |
| ISBN-10: | 3846584851 |
| ISBN-13: | 9783846584859 |
| Formatas: | 220 x 150 x 4 mm. Knyga minkštu viršeliu |
| Kalba: | Anglų |
Parašykite atsiliepimą apie „A Virtual Screening & Molecular Docking Study of Thiadiazoles:: Inhibitory activity of Thiadiazoles on Protein Kinase PKnB from Mycobacterium Tuberculosis“
