Docking is a structure-based technique which attempts to find the “best” match, between two molecules. Molecular docking can be thought of as a problem of “lock-and-key”, in which one wants to find the correct relative orientation of the “key” which will open up the “lock” (where on the surface of the lock is the key hole, which direction to turn the key after it is inserted, etc.). The explosion of structural informatics, genomics and proteomic plays a major role in leading the efforts towards modern era drug discovery and development. Various docking programs were developed to visualize the3D structure of the molecule and docking score can also be analyzed with the aid of different computational methods. Molecular Docking is a structure-based virtual screening (SBVS) that is used to place the computer-generated three-dimensional Structures of small molecules into a target structure in a variety of positions, conformations and orientations. Protein-ligand docking is a new concept with a variety of applications. It acts as a vivacious explore domain because of its significance to structure-based drug design (SBDD), Lead Optimization, Evaluation of Biochemical pathways, in De Novo drug design. Through Molecular Docking the Binding mode and affinity of the complex so formed is estimated and thus helps in the Molecular Recognition Process docking towards discovery of new drug leads.
Olisedeme, C. (2019). Molecular Docking and Structure Based Drug Design. Afribary. Retrieved from https://afribary.com/works/molecular-docking-and-structure-based-drug-design
Olisedeme, Chinonye "Molecular Docking and Structure Based Drug Design" Afribary. Afribary, 23 Aug. 2019, https://afribary.com/works/molecular-docking-and-structure-based-drug-design. Accessed 22 Nov. 2024.
Olisedeme, Chinonye . "Molecular Docking and Structure Based Drug Design". Afribary, Afribary, 23 Aug. 2019. Web. 22 Nov. 2024. < https://afribary.com/works/molecular-docking-and-structure-based-drug-design >.
Olisedeme, Chinonye . "Molecular Docking and Structure Based Drug Design" Afribary (2019). Accessed November 22, 2024. https://afribary.com/works/molecular-docking-and-structure-based-drug-design