How 'Protein-Docking' Translates into the New Emerging Field of Docking Small Molecules to Nucleic Acids?

ABSTRACT: In this review, we retraced the '40-year evolution' of molecular docking algorithms. Over the course of the years, their development allowed to progress from the so-called 'rigid-docking' searching methods to the more sophisticated 'semi-flexible' and 'flexible docking' algorithms. Together with the advancement of computing architecture and power, molecular docking's applications also exponentially increased, from a single-ligand binding calculation to large screening and polypharmacology profiles. Recently targeting nucleic acids with small molecules has emerged as a valuable therapeutic strategy especially for cancer treatment, along with bacterial and viral infections. For example, therapeutic intervention at the mRNA level allows to overcome the problematic of undruggable proteins with

SUBMITTER: Tessaro F 

PROVIDER: S-EPMC7355999 | biostudies-literature | 2020 Jun

REPOSITORIES: biostudies-literature