Alessandro Dessì

Alessandro Dessì, is currently part of the calculation team, established from 2000 to date. The specialist knowledge involve molecular modeling, virtual screening, docking and molecular dynamics which support the various research groups belonging to the Institute of Biomolecular Chemistry, and different, national and international, research groups.
He was involved in the generation and adaptation of graphical interfaces for the use of different processing programs.

In collaboration with a medicinal chemistry group, currently works on design of novel biologically active compounds as prototype drugs on HIV-1 Integrase field, we were performed several computational studies (conformational analyses and docking procedure) and drug discovery methods (Structure-based Drug design, 3D-Distance geometry, et al).

This computational approach was applied with the aim of helping in the all steps of the drug research: preliminary (structure-based drug design), on the drug optimization and of better interpreting the biological results.

Recently, we started with a new research interest focused on structure-based design and synthesis of novel compounds as Syk inhibitors with new scaffold.

Expertise:

• Calculation models of biologically and pharmacologically active molecules

• Design and simulation of biologically and pharmacologically active molecules

• Analysis of the data calculated and pharmacological activities

Is coauthor of 70 articles on national and international peer-reviewed journals (H-Index 24)

1) R. Dallocchio, A. Dessì, A. De Vito, G. Delogu, P. A. Serra, G. Madeddu, Early combination treatment with existing HIV antivirals: an effective treatment for COVID-19? European Review for Medical and Pharmacological Sciences, 2021, 25 (5), 2435-2448, DOI: 10.26355/eurrev_202103_25285

2) P. Peluso, A. Dessì, R. Dallocchio, B. Sechi, C. Gatti, B. Chankvetadze, V. Mamane, R. Weiss, P. Pale, E. Aubert, S. Cossu, Enantioseparation of 5,5’-dibromo-2,2’-dichloro-3-selanyl-4,4’-bipyridines on polysaccharide-based chiral stationary phases: exploring chalcogen bonds in liquid-phase chromatography, Molecules, 2021, 26, 1, 221, DOI: 10.3390/molecules26010221

3) C. Gatti, A. Dessì, R. Dallocchio, V. Mamane, S. Cossu, R. Weiss, P. Pale, E. Aubert, P. Peluso, Factors impacting s- and p-Hole regions as reveled by the electrostatic potential and its source function reconstruction: the case of 4,4′-bipyridine derivatives, Molecules, 2020, 25, (19), 4409, DOI: 10.3390/molecules25194409

4) G. Marchetti, A. Dessì, R. Dallocchio, I. Tsamesidis, M. C. Pau, F. Turrini, A. Pantaleo, Syk inhibitors: new computational insights for the treatment of Plasmodium falciparum malaria, International Journal of Molecular Sciences, 2020, 21 (19), 7009, DOI: 10.3390/ijms21197009

5) M.A. Dettori, D. Fabbri, A. Dessì, R. Dallocchio, P. Carta, C. Honisch, P. Ruzza, D. Farina, R. Migheli, P.A. Serra, R. A. Pantaleoni, X. Fois, G. Rocchitta, G. Delogu, Synthesis and studies of the inhibitory effect of hydroxylated phenylpropanoids and biphenols derivatives on tyrosinase and laccase enzymes, Molecules, 2020, 25, (11), 2709, DOI: 10.3390/molecules25112709