Rita Guedes

PhD (2003) in Chemistry (Physical Chemistry), Universidade de Lisboa
Assistant Professor, Pharmaceutical and Medicinal Chemistry

Faculdade de Farmácia, Universidade de Lisboa — Av. Prof. Gama Pinto, 1649-003 Lisboa, Portugal

T (+351) 217 946 477
F (+351) 217 946 470
Researcher ID K-5836-2013
Group Researcher ID B-4834-2014
Scopus Author ID 7103388682

Research Interests

Guedes leads a group of molecular modellingthat identifies and optimizes small molecules to targetproteins involved in inflammation, cancer and infectious diseases. Guedes’s research group uses accurate and efficient computational methods like docking, virtual screening, homology modelling, pharmacophore, de novo design, molecular dynamics and quantum mechanics for structure-based drug design campaigns.Recently,highly potent and selective inhibitors of human elastase as well as novel antimalarials were developed by Guedes’s group.

Selected Publications

Lucas SD, Gonçalves LM, Afonso LM, Correia HF, Da Costa EMR, Guedes RA, Moreira R, Guedes RC. Optimization of O3-Acyl Kojic Acid Derivatives as Potent and Selective Human Neutrophil Elastase Inhibitors. J Med Chem 2013; 56: 9802–9806.

Mugumbate G, Newton AS, Rosenthal PJ, Gut J, Moreira R, Chibale K, Guedes, R C. Novel anti-Plasmodial hits identified by virtual screening of the ZINC database. J Comput Aid Mol Des 2013; 27: 859-871.

Lucas SD, Gonçalves LM, Cardote TA, Correia HF, Moreira R, Guedes RC. Structure based virtual screening for discovery of novel human neutrophil elastase inhibitors. Med Chem Commun 2012; 3: 1299-1304.

Estácio SG, Moreira R, Guedes RC. Characterizing the dynamics and ligand-specific interactions in the human leukocyte elastase through molecular dynamics simulations. J Chem Inf Mod 2011; 51: 1690-1702.

Rodrigues T, Gut J, Rosenthal PJ, O’Neill PM, Biagini GA, Moreira R, Lopes F, dos Santos DJVA, Guedes RC. Identification of new antimalarial leads by use of virtual screening against cytochrome bc1. Bioorg Med Chem 2011; 19: 6302-6308.