Application of computational methods for anticancer drug discovery, design, and optimization.
| Autor: | Prada-Gracia D; Department of Pharmacological Sciences, Icahn Medical Institute Building, Icahn School of Medicine at Mount Sinai, New York, USA., Huerta-Yépez S; Unidad de Investigación en Enfermedades Oncológicas, Hospital Infantil de México Federico Gómez, Mexico City, Mexico., Moreno-Vargas LM; Unidad de Investigación en Enfermedades Oncológicas, Hospital Infantil de México Federico Gómez, Mexico City, Mexico. Electronic address: lmoreno@himfg.edu.mx. |
|---|---|
| Jazyk: | angličtina |
| Zdroj: | Boletin medico del Hospital Infantil de Mexico [Bol Med Hosp Infant Mex] 2016 Nov - Dec; Vol. 73 (6), pp. 411-423. Date of Electronic Publication: 2016 Nov 30. |
| DOI: | 10.1016/j.bmhimx.2016.10.006 |
| Abstrakt: | Developing a novel drug is a complex, risky, expensive and time-consuming venture. It is estimated that the conventional drug discovery process ending with a new medicine ready for the market can take up to 15 years and more than a billion USD. Fortunately, this scenario has recently changed with the arrival of new approaches. Many novel technologies and methodologies have been developed to increase the efficiency of the drug discovery process, and computational methodologies have become a crucial component of many drug discovery programs. From hit identification to lead optimization, techniques such as ligand- or structure-based virtual screening are widely used in many discovery efforts. It is the case for designing potential anticancer drugs and drug candidates, where these computational approaches have had a major impact over the years and have provided fruitful insights into the field of cancer. In this paper, we review the concept of rational design presenting some of the most representative examples of molecules identified by means of it. Key principles are illustrated through case studies including specifically successful achievements in the field of anticancer drug design to demonstrate that research advances, with the aid of in silico drug design, have the potential to create novel anticancer drugs. (Copyright © 2016 Hospital Infantil de México Federico Gómez. Publicado por Masson Doyma México S.A. All rights reserved.) |
| Databáze: | MEDLINE |
| Externí odkaz: |
|