Molecules, Vol. 28, Pages 4814: Structure-Based Design of Novel MAO-B Inhibitors: A Review

Molecules, Vol. 28, Pages 4814: Structure-Based Design of Novel MAO-B Inhibitors: A Review Molecules doi: 10.3390/molecules28124814 Authors: Emilio Mateev Maya Georgieva Alexandrina Mateeva Alexander Zlatkov Shaban Ahmad Khalid Raza Vasco Azevedo Debmalya Barh With the significant growth of patients suffering from neurodegenerative diseases (NDs), novel classes of compounds targeting monoamine oxidase type B (MAO-B) are promptly emerging as distinguished structures for the treatment of the latter. As a promising function of computer-aided drug design (CADD), structure-based virtual screening (SBVS) is being heavily applied in processes of drug discovery and development. The utilization of molecular docking, as a helping tool for SBVS, is providing essential data about the poses and the occurring interactions between ligands and target molecules. The current work presents a brief discussion of the role of MAOs in the treatment of NDs, insight into the advantages and drawbacks of docking simulations and docking software, and a look into the active sites of MAO-A and MAO-B and their main characteristics. Thereafter, we report new chemical classes of MAO-B inhibitors and the essential fragments required for stable interactions focusing mainly on papers published in the last five years. The reviewed cases are separated into several chemically distinct groups. Moreover, a modest table for rapid revision of the revised works including the structures of the repo...
Source: Molecules - Category: Chemistry Authors: Tags: Review Source Type: research