A State of Art Review on Application of Nature Inspired Optimization Algorithms in Protein-Ligand Docking

The problem of molecular docking is to find the best position and orientation of small molecules (Ligand) to a larger receptor molecule whose binding sites are already known. The process of docking is of vital importance in the development of new therapeutics as it can alter the chemical behaviour of receptor macromolecule. Mathematically, protein-ligand docking can be formulated as an optimization problem in which the objective is to minimize the intermolecular interaction energy of the molecular system. This review explores the application of nature inspired optimization algorithms in molecular docking.