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portada Drug lead identification using molecular docking approach
Type
Physical Book
Author
Publisher
Language
English
Pages
60
Format
Paperback
Dimensions
22.9x15.2x0.4 cm
Weight
0.10 kg.
ISBN13
9786139967759
Categories

Drug lead identification using molecular docking approach

Radhakrishnan Narayanaswamy (Author) · LAP Lambert Academic Publishing · Paperback

Drug lead identification using molecular docking approach - Narayanaswamy, Radhakrishnan

New Book Imported to Netherlands
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Synopsis "Drug lead identification using molecular docking approach"

Molecular docking is a computational method to study the formation of intermolecular complexes of one small molecule ligand (drug lead) with a macromolecule, which usually is a protein (drug target) of known three dimensional structure. Four different types of interactions between the molecules can be distinguished such as 1) protein-protein; 2) protein-DNA; 3) DNA-ligand and 4) protein-ligand. In recent years, the availability of three dimensional (3D) structures for many macromolecular drug targets (proteins) and rapid advancement in computational chemistry and bioinformatics, both in vitro and in silico serve a new novel platform for the development as well as exploring modern computational methods. When the 3 D structure of the macromolecular target is known, then the design of the computational library can be customized to suit the geometry of the binding site. Moreover, identifying binding sites and protein-ligand interactions using bioinformatics tools before venturing into wet laboratory studies saves the energy, time and money considerably.

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