Modelagem Molecular: Uma Ferramenta para o Planejamento Racional de Fármacos em Química Medicinal

Química Nova

Eliezer J. Barreiro²  Carlos Rangel Rodrigues²  Magaly Girão Albuquerque¹  Carlos Mauricio Rabello De Sant'anna¹  Ricardo Bicca De Alencastro¹ 

[1] ,Universidade Federal do Rio de Janeiro Faculdade de Farmácia DTFRio de Janeiro RJ

关键词: molecular modeling;    medicinal chemistry;    drug design;   

DOI  :  10.1590/S0100-40421997000300011

来源: SciELO

【 摘 要 】

The molecular basis of modern therapeutics consist in the modulation of cell function by the interaction of microbioactive molecules as drug cells macromolecules structures. Molecular modeling is a computational technique developed to access the chemical structure. This methodology, by means of the molecular similarity and complementary paradigm, is the basis for the computer-assisted drug design universally employed in pharmaceutical research laboratories to obtain more efficient, more selective, and safer drugs. In this work, we discuss some methods for molecular modeling and some approaches to evaluate new bioactive structures in development by our research group.

【 授权许可】

CC BY-NC   
 All the contents of this journal, except where otherwise noted, is licensed under a Creative Commons Attribution License