Title:Computational Studies Applied to Anti-inflammatory Drug Discovery: A Review
VOLUME: 22 ISSUE: 17
Author(s):Luciana Scotti*, Hamilton M. Ishiki, Frederico F. Ribeiro, Rodrigo Santos, Rejane Barbosa de Oliveira, Tiago Branquinho Oliveira, Mateus Feitosa Alves, Jose Maria Barbosa Filho and Marcus Tullius Scotti
Affiliation:Postgraduate Program in Natural and Synthetic Bioactive Products, Federal University of Paraiba, Joao Pessoa - PB, University of Western Sao Paulo (Unoeste), Presidente Prudente, SP, Federal University of Pernambuco, Campus I, Recife-PE, Laboratory of Synthesis and Drug Delivery, Department of Biological Science, State University of Paraiba, Joao Pessoa, PB, Federal Technological University - Parana (UTFPR), Parana, Federal University of Sergipe (UFS-SE), SE, Postgraduate Program in Natural and Synthetic Bioactive Products, Federal University of Paraiba, Joao Pessoa - PB, Postgraduate Program in Natural and Synthetic Bioactive Products, Federal University of Paraiba, Joao Pessoa - PB, Postgraduate Program in Natural and Synthetic Bioactive Products, Federal University of Paraiba, Joao Pessoa - PB
Keywords:In silico, inflammation, bowel diseases, autoimmune diseases, asthma, pain.
Abstract:The inflammatory process is both natural and endogenous, occurring as a response
of the organism to infectious or irritant agents. Although it is an organic response
to an aggressor, and should be considered beneficial, it is not. Inflammation causes pain,
edema, increased temperature, and often results in decreased mobility and quality of life
for the patient. Chronic disturbances such as bowel, autoimmune diseases and asthma are
all examples where an inflammatory response develops. Methods involving theoretical
chemistry are widely diffused both in academia and industry because of their ability to
considerably reduce both time and costs in new drug discovery endeavors. They can provide
useful information concerning the steric and lipophilic nature of probable drug to biological
target interactions as well as establishing quantitative relationships between
chemical structures and biological activity for a series of investigated compounds. Such methods assist our understanding
of mechanisms of action responsible for the known biological effect, describing and explaining experimental
results; where one can essentially test for outcomes before realizing bench experiments. Based on
the above, this review reported in silico studies between 2007-2017 and aims to investigate how methods involving
theoretical chemistry contribute to the development of new drugs which present more efficient antiinflammatory
activities with fewer side effects.
