Author: Prada-Gracia, Diego; Huerta-Yépez, Sara; Moreno-Vargas, Liliana M.
Title: Application of computational methods for anticancer drug discovery, design, and optimization Cord-id: jlol01b8 Document date: 2016_12_31
ID: jlol01b8
Snippet: Abstract 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 becom
Document: Abstract 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.
Search related documents:
Co phrase search for related documents- absence presence and active site: 1, 2, 3, 4, 5, 6, 7, 8
- absence presence and acute lymphoblastic leukemia: 1
- absence presence and acute respiratory syndrome: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 34, 35, 36, 37, 38, 39, 40, 41, 42, 43, 44, 45, 46, 47, 48, 49, 50, 51, 52, 53, 54, 55, 56, 57, 58, 59, 60, 61, 62, 63, 64, 65, 66, 67, 68, 69, 70, 71, 72
- absence presence and low efficiency: 1, 2
- absence presence and luciferase activity: 1, 2, 3, 4, 5
- absence presence and luciferase reporter: 1, 2, 3, 4, 5
- absence presence and luciferase reporter gene: 1, 2
- absence presence and lung cancer: 1, 2, 3, 4
- absence presence and lymphoblastic leukemia: 1, 2
- absence presence and magnetic resonance: 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13
Co phrase search for related documents, hyperlinks ordered by date