Drug discovery and design for complex diseases through QSAR computational methods.
There is a need for a study of the complex diseases due to their important impact on our society. One of the solutions involves the theoretical methods which are fast and efficient tools that can lead to the discovery of new active drugs specially designed for these diseases. The Quantitative Structure - Activity Relationship models (QSAR) and the complex network theory become important solutions for screening and designing efficient pharmaceuticals by coding the chemical information of the molecules into molecular descriptors. This review presents the most recent studies on drug discovery and design using QSAR of several complex diseases in the fields of Neurology, Cardiology and Oncology.
Munteanu
Cristian R
CR
Department of Information and Communication Technologies, University of A Coruña, Spain. muntisa@gmail.com
Fernández-Blanco
Enrique
E
Seoane
José A
JA
Izquierdo-Novo
Pilar
P
Rodríguez-Fernández
José Angel
JA
Prieto-González
José María
JM
Rabuñal
Juan R
JR
Pazos
Alejandro
A
D003327:Coronary Disease / Q000188:drug therapy / Q000453:epidemiology / Q000401:mortality; D015195:Drug Design; D055808:Drug Discovery; D004358:Drug Therapy; D006801:Humans; D008954:Models, Biological; D008958:Models, Molecular; D008968:Molecular Conformation; D009369:Neoplasms / Q000188:drug therapy / Q000401:mortality; D009422:Nervous System Diseases / Q000188:drug therapy / Q000453:epidemiology / Q000401:mortality; D004364:Pharmaceutical Preparations; D021281:Quantitative Structure-Activity Relationship
D004364:Pharmaceutical Preparations