Scientific interests

Scientific areas

Medicinal chemistry; bioinorganic and bioorganic chemistry; computational chemistry.

Working fields

Computational chemistry and modeling of new bioactive compounds; organic synthesis; enzyme inhibition; analytical chemistry and solution equilibria.


Molecular design, synthesis and study of new compounds with potencial anticancer activity, with perspective for further medicinal application. The target is the inhibition of certain metalloenzymes involved in this pathology (e.g. matrix metalloproteinases, MMP; carbonic anhydrases, CAs; etc.)

More recently, the research area has extended to the development of polyfunctional antineurodegenerative agents towards Alzheimer's disease. The targets are the inhibition of neurological enzymes such as acetylcholinesterase (AChE), β- and γ-secretases.

Another important field that has always been present is the synthesis and study of chelating agents. The aim of this research topic is the medicinal application in radiodiagnosis (e.g. gallium or lanthanide radioisotopes) or metal detoxication (e.g. iron and alluminium). The studies performed include determination of the thermodynamic stability constants and speciation of the metal complexes, and molecular modelling of their 3D structures.


Copyright © 2012 by Sérgio M. Marques