Receptor-based virtual screening protocol for drug discovery

• Tipo: Outra Publicação em Revista Científica Internacional
• Data: 2015

Autores

Nuno M F S A Cerqueira (Autor) Outra; Diana Gesto (Autor) Outra; Eduardo F Oliveira (Autor) Outra; Diogo Santos Martins (Autor) Outra; Natercia F Bras (Autor) Outra; Sergio F Sousa (Autor) Outra; Pedro A Fernandes (Autor) FCUP; Maria J Ramos (Autor) FCUP

Revista

Título: Archives of Biochemistry and Biophysics

Vol. 582

Páginas: 56-67

ISSN: 0003-9861

Editora: Elsevier

Indexação

ISI Web of Knowledge - 73 Citações

Scopus - 75 Citações

Classificação Científica

FOS: Ciências exactas e naturais > Ciências biológicas

Outras Informações

ID Authenticus: P-00G-KSG

DOI: 10.1016/j.abb.2015.05.011

Abstract (EN): Computational aided drug design (CADD) is presently a key component in the process of drug discovery and development as it offers great promise to drastically reduce cost and time requirements. In the pharmaceutical arena, virtual screening is normally regarded as the top CADD tool to screen large libraries of chemical structures and reduce them to a key set of likely drug candidates regarding a specific protein target. This chapter provides a comprehensive overview of the receptor-based virtual screening process and of its importance in the present drug discovery and development paradigm. Following a focused contextualization on the subject, the main stages of a virtual screening campaign, including its strengths and limitations, are the subject of particular attention in this review. In all of these stages special consideration will be given to practical issues that are normally the Achilles heel of the virtual screening process. (C) 2015 Published by Elsevier Inc.

Idioma: Inglês

Tipo (Avaliação Docente): Científica

Nº de páginas: 12