Computer-aided Design of Coumarins for Neurodegenerative Diseases: Trends of the Last Decade

• Type: Another Publication in an International Scientific Journal
• Date: 2021

Authors

Yordi, EG (Author) Other; Santana, L (Author) Other; Uriarte, E (Author) Other; Fernanda Borges (Author) FCUP; Matos, MJ (Author) FCUP

Journal

Title: Current Topics in Medicinal Chemistry

Vol. 21

Pages: 2245-2257

ISSN: 1568-0266

Publisher: Bentham Science

Indexing

ISI Web of Knowledge - 2 Citations

Scopus - 2 Citations

Other information

Authenticus ID: P-00V-Q2N

DOI: 10.2174/1568026621666211011101429

Abstract (EN): Computer-aided design of new drugs is an exponentially growing field, especially in the last decade. The support of theoretical tools may accelerate the drug discovery process, which is a long and very expensive journey. Tools as QSAR and docking calculations are on the top of the list for helping medicinal chemists to find more potent and selective molecules as potential leads for facing challenging diseases. Coumarins have been an important source of inspiration for the design of new drugs. Due to their chemical properties and their affinity to some targets, special attention has been paid to their role against neurodegenerative diseases. Therefore, the authors provide an overview of the scientific reports describing the research and development of new drug design tools supporting the discovery of coumarins as enzymatic inhibitors or receptor ligands involved in these diseases. This review emphasizes the rationale behind the design of new drug candidates, and particular attention is paid to the search for new leads over the last 10 years. QSAR and docking studies are discussed, as well as new technologies applied for the research in this field. The manuscripts discussed in this review have been collected from multiple electronic databases, including Pubmed, SciFinder, and Mendeley.

Language: English

Type (Professor's evaluation): Scientific

No. of pages: 13