Dessi Alessandro

Dessi Alessandro

    • Technicians
  • 13 Settembre 2018
  • 2077


Profile: Technician

Office location: Sassari

E-mail address: Questo indirizzo email è protetto dagli spambots. E' necessario abilitare JavaScript per vederlo.

Work phone #: 0792841214

Mobile: 3336139855


Alessandro Dessì is co-author of 59 articles on national and international peer-reviewed reviews, is also co-author of 95 communications to national and international congresses. From 1982 to date, works in the field of chemical research. Up to 2000, the research sector was the transition metal ions (copper, vanadium, cobalt, nickel) and their interactions with ligands of low molecular weight, investigated through spectroscopic and chromatographic techniques. He is currently part of the calculation team, established from 2000 to date, in partnership with Roberto Dallocchio (research technician of Institute of Biomolecular Chemistry of Sassari and in collaboration with Mario Sechi Department of Chemistry and Pharmacy). The specialist knowledge are 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. Participation to the Department of Chemical Sciences and Materials Technologies; He was involved in the generation and adaptation of graphical interfaces for the use of different processing programs. Expertise:

  • Calculation models of biologically and pharmacologically active molecules
  • Design and simulation of new bioactive molecules with similar mechanism of action (structure-based drug design)
  • Analysis of the data calculated and pharmacological activities



The research interest is focused mainly on the calculation of models, by computer facilities. This models can be applied to chemical-biological and pharmaceutical system, adaptation-generation graphical user interfaces for the use of the various processing programs, the design and simulation of new bioactive molecules with similar mechanism of action (structure-based drug design) and finally the analysis of calculated data and pharmacological activities. The calculation concerns the molecular dynamics, quantum mechanics, ab-initio calculation, docking and virtual screening of ligands and macromolecules of biological interest. He deals in particular:

  1. the interface between chemistry, biology and computational sciences, whose aim is to improve understanding of the dynamics of the association of molecules, molecular transitions of proteins and nucleic acids and their interactions with organic molecules of low molecular weight,
  2. design and simulation of new bioactive molecules with similar mechanism of action (structure-based drug design) through methods of molecular dynamics which lead compound pharmacological, conformational analysis of organic ligands with molecular mechanics methods and ab-initio calculation of structures synthesis,
  3. studies of virtual screening and docking relating to possible models antiviral HIV-1 Integrase, Endonuclease, Carbonic Anhydrase, Tyrosinase and Laccase,

Major publications

  1. P. Peluso, C. Gatti, A. Dessì, R. Dallocchio, R.Weiss, E. Aubert, P. Pale, S. Cossu, V.   Mamane; Enantioseparation of fluorinated 3-(aryl)thio-4,4'-bipyridines: insights into chalcogen and p-hole bonds in high-performanceliquid      chromatography; Journal Chromatography A, 2018, 1567, 119-129; DOI:10.1016/j.choroma.2018.06.060
  2. R. Dallocchio, A. Dessì, M. Solinas, A. Arras, S. Cossu, E. Aubert, V. Mamane, P. Peluso; Halogen bond in high-performance liquid chromatography enantioseparations: Description, features and modelling; Journal Chromatography A, 2018, 1563, 71-81; DOI:10.1016/j.choroma.2018.05.061
  3. P. Peluso, V. Mamane, R. Dallocchio, A. Dessì, R. Villano, D. Sanna, E. Aubert, P. Pale, S. Cossu; Polysaccharide-based chiral stationary phases as halogen bond acceptors: A novel strategy for detection of stereoselective σ-hole bonds in solution; Journal Separation Science 2018, 41, (6), 1247-1256; DOI:10.1002/jssc.201701206
  4. G. Righi, R. Pelagalli, V. Isoni, I. Tirotta, M. Martini, M., Palagri, R. Dallocchio, A. Dessì, B. Macchi, C. Frezza, G. Forte, A. Dalla Cort, G. Portalone, P. Bovicelli; Synthesis, of potential HIV Integrase inhibitors inspired by polyphenol structures; Natural Product Research 2018, 32, (16) 1893-1901; DOI:10.1080/14786419.2017.1354191
  5. R. Cadoni, N. Pala, C. Lomelino,B.P. Mahon, R. McKenna, R. Dallocchio, A. Dessì, M. Carcelli, D. Rogolino, V. Sanna, M. Rassu, C. Iaccarino, D. Vullo, C. Supuran, M. Sechi; Exploring heteroaryl-pyrazole carboxylic acids as human carbonic anhydrase XII inhibitors; ACS Medicinal Chemistry Letters 2017, 8 (9), 941–946; DOI:10.1021/acsmedchemlett.7b00229
  6. G. Righi, R. Pelagalli, V. Isoni, I. Trotta, R. Dallocchio, A. Dessì, B.Macchi, C. Frezza, I. Rossetti, P. Bovicelli; Synthesis, molecular modelling and biological evaluation of two new chicoric acid analogs; Natural Product Research, 2017, 31 (4), 397-403; DOI:10.1080/14786419.2016.1169413
  7. G. Pani, A. Dessì, R. Dallocchio, B. Scherm, E. Azara, G. Delogu, Q. Migheli; Natural phenolic inhibitors of trichothecene biosynthesis by the wheat fungal pathogen Fusarium culmorum: a computational insight into the structure-activity relationsh; PlosOne Open Access 2016; DOI:10.1371/journal.pone.0157316
  8. P. Peluso, V. Mamane, E. Aubert, A. Dessì, R. Dallocchio, A.Dore, P. Pale and S. Cossu; Insights into halogen bonding-driven enantioseparations; Journal Chromatography A ,2016, 1467, 228-238; DOI: 10.1016/j.chroma.2016.06.007
  9. N. Pala, A. Stevaert, R. Dallocchio, A. Dessì, D. Rogolino, M. Carcelli, V.Sanna, M. Sechi, L. Naesens; Virtual screening and biological validation of novel influenza virus PA enduclease inhibitors; ACS Medicinal Chemistry Letters 2015, 6 (8), pp 866-871; DOI: 10.1021/acsmedchemlett.5b00109
  10. M.A. Dettori, D. Fabbri, M. Pisano, C. Rozzo, G. Palmieri, A. Dessì, R. Dallocchio,G. Delogu; 4-Substituted-2-Methoxyphenol: Suitable building block to prepare new bioactive natural-like hydroxylated biphenyls; Letters in Drug Design & Discovery, 2015, 12, 131-139; DOI: 10.2174/1570180811666140915222343


Structure-based drug design, molecular dynamics, computational chemistry, docking, virtual screening