Chemoinformatics Research
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Antreas Afantitis PhD, MBA

Afantitis Antreas (GR: Αφαντίτης Ανδρέας) received his B.Sc & M.Eng , M.Sc and PhD  in Chemical Engineering, Process Design & Systems, Computational Mechanics and Computational & Organic Chemistry respectively from the School of Chemical Engineering (NTUA). Later he has pursued management studies towards an MBA   from the School of Electrical and Computer Engineering (NTUA).

Dr Afantitis Antreas (GR: Αφαντίτης Αντρέας) has a strong scientific background in the field of chemoinformatics, bioinformatics and medicinal chemistry. Recently he has developed and published a virtual activity evaluation procedure in order to develop potent therapeutic agents for the treatment of different diseases by understanding the interactions at the molecular level. The specific methodology has been highlighted by Drug Discovery Today
“Advances in Virtual Screening” as a recent success story.

His article  entitled "Identification of a series of novel derivatives as potent HCV inhibitors by a ligand – based virtual screening optimized procedure" Bioorganic & Medicinal Chemistry 2007 15 7237 7147 has been highlighted twice to the
Top25 Hottest Articles (October - December 2008) & Top25 Hottest Articles (October - December 2007). One of his first published articles “QSAR study on para – substituted aromatic sulfonamides as carbonic anhydrase II inhibitors using topological information indices” Bioorganic and Medicinal Chemistry 2006 14 (4) 1108 1114 has received the Most Cited Paper Award 2006-2009. Finally his article entitled 'Synthesis and evaluation of the antioxidant and anti-inflammatory activity of novel coumarin-3-aminoamides and their <alpha>-lipoic acid adducts" European Journal of Medicinal Chemistry, Volume 44, Issue 7, Pages 3020-3026 has been highlighted to the Top 25 Hottest Articles April -June 2009

The main field of the application of his research is drug discovery, property design and prediction. His scientific work has been published in 43 original research articles in international peer reviewed journals. According to Google Scholar his work has been cited 1115 times and his h-index is 21. 
He is a reviewer in leading scientific journals (Journal of Chemical Informatics & Modeling, Journal of Molecular Graphics and Modeling, Chemometrics and Intelligent Laboratory Systems, European Journal of Medicinal Chemistry, Molecular Diversity, Chromatographia, Macromolecular Theory and Simulations,  Molecules, Molecular Simulation, Expert Opinion On Drug Discovery, Arkivoc, Journal of Solution Chemistry, SAR and QSAR in Environmental Research, Letters in Drug Design &  Discovery, Chemical Physics Letters, Journal of Computational Chemistry, Journal of Molecular Structure, Analytica Chimica Acta, Interdisciplinary Sciences: Computational Life Sciences,Bioorganic & Medicinal Chemistry Letters, Structural Chemistry, Chemosphere) and an evaluator of international competitive grants (Chilean Research Fund Council).

His research mainly focuses on the development of tools that are able to derive high quality molecular descriptors and to efficiently manage huge amounts of available data in order to link Structure-Based Drug Design, Chemoinformatics and Bioinformatics. Additionally Dr. Afantitis has managerial experience in large scale scientific projects since he has managed successfully EU funded projects (total budget over 11 M euros). Recently has joined Arkivoc Editorial Board of Referees and has has been included in the most productive authors in the field of Chemoinformatics according to a recent
bibliometric analysis performed by Prof. Peter Willet.





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