Virtual Trip delivers High-Performance Computing in Computational Molecular Biology

The R&TD dept. of Virtual Trip has successfully completed in 2008 the PA.MICH ("PAthogenous MECHanisms") project, a co-funded, R&TD, computational molecular biology project in the framework of the Regional Enterprise Program (PEP) of Crete, run in collaboration with the Lab. of Crystallography, dept. of Biology, Univ. of Crete.

The project developed a methodology and related computational tools that assist in the design and synthesis of durgs, that are capable of inhibiting the undesired actions of certain proteins and enzyms. Virtual Trip developed a tool that scans through world-wide databases of small molecules, (e.g. the "Cambridge Structural Database", containing ~400.000 molecules), and superimposes each candidate on the "active center" of a given target-protein. Subsequently, all candidates are reported and new "lead compounds" are synthesized. The project's results have been successfully demonstrated with the BcZBP protein of the Bacillus Cereous, a protein with significant similarity (3 homologues) with the highly hazardous B.anthracis. 111 compounds were computationally synthesized and have been proposed as candidates to inhibit the infectuous activity of this protein.

The above outcomes, combined with recent global research results from cancer research, immunology and cardiology can potentially lead to the development of a wide range of antibiotics, to the cure of certain forms of cancer and to the reduction of cholesterol and the atheromatic plaque (which cause cardiovascular diseases).

Virtual Trip and the Univ. of Crete are committed to followup this research work and proceed with the real synthesis and clinical testing of the PA.MICH results, as well as to extend the application domain of this methodology and tools to other areas.