Rita C. Guedes

PhD (2003) in Chemistry (Physical Chemistry), Universidade de Lisboa
Assistant Professor, Pharmaceutical Chemistry and Therapeutics, Faculdade de Farmácia, Universidade de Lisboa

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

T (+351) 217 946 400
F (+351) 217 946 470
Researcher ID K-5836-2013
Group Researcher ID B-4834-2014
Scopus Author ID 7103388682

Research Interests

Rita Guedes leads the molecular modeling lab at iMed.ULisboa (Universidade de Lisboa) that identifies and optimizes small molecules to target proteins involved in inflammation, cancer, and infectious diseases. Her research group uses computational methods like molecular docking, virtual screening, homology modelling, pharmacophore modelling, de novo design, molecular dynamics simulations and quantum mechanics calculations for drug discovery campaigns. RG has published >70 papers and supervised several Post-docs, PhDs, master and project students (she supervises now 1 post-doc, 7 PhD’s and 3 master students).

Selected Publications

Yosipof A, Guedes RC, García-Sosa AT. Data Mining and Machine Learning Models for Predicting Drug Likeness and their Disease or Organ Category. Frontiers in Chemistry 2018; accepted for publication.

Bonito CA, Nunes J, Leandro J, Louro F, Leandro P, Ventura FV, and Guedes RC. Unveiling the Pathogenic Molecular Mechanisms of the Most Common Variant (p.K329E) in Medium-Chain Acyl-CoA Dehydrogenase Deficiency by in Vitro and in Silico Approaches. Biochemistry 2016; 55: 7086–7098.

Guerreiro PS, Estácio SG, Antunes F, Fernandes AS, Pinheiro PF, Costa JG, Castro M, Miranda JP, Guedes RC, Oliveira NG. Structure-based virtual screening toward the discovery of novel inhibitors of the DNA repair activity of the human apurinic/apyrimidic endonuclease 1. Chem Biol Drug Des 2016; 88: 915-925.

Guedes RA, Serra P, Salvador JAR, Guedes RC. Computational Approaches forthe Discovery of Human Proteasome Inhibitors: An Overview. Molecules, 2016; 21: 927.

Areias LRP, Ruivo EFP, Goncalves LM, Duarte MT., André V, Moreira R, Lucas SD, Guedes RC. A unified approach toward the rational design of selective low nanomolar human neutrophil elastase inhibitors. RSC Adavnces 2015; 5: 51717-51721.