The virtual dynamic docking, carried out in the MOLBD3 lab of the Institute of Biophysics, allows the identification of new drugs through the structural information deriving from the study of target proteins, responsible for some human pathologies. In particular, we screen drugs or small molecules (commercial/own libraries) against known protein sites, surface cavities, surfaces of protein-protein interactions (fixed/rigid hotspots) or structural transition states (dynamic hotspots).
Technologies
In this section it is possible to view, also through targeted research, the technologies inserted in the PROMO-TT Database. For further information on the technologies and to contact the CNR Research Teams who developed them, it is necessary to contact the Project Manager (see the references at the bottom of each record card).
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The development of functional foods is often limited by industrial manufacturing processes, for example, for the production of baked foods, the use of high cooking temperatures causes denaturation of proteins, destruction of vitamins, alteration of fatty acids, etc. The protection of these components is essential in the production of gluten-free foods as they are generally poor in proteins and vitamins.
Combined use of High-Resolution Nuclear Magnetic Resonance (NMR) spectroscopy in solution and multivariate statistical analysis for the geographical differentiation of Italian and Chinese concentrated tomato paste. Particularly the metabolites content of acqueos exctrats of concentrated tomato paste is evaluated.
VisLab laboratory of IMM possesses a latest generation Raman micro-spectroscope equipped for vibrational measurements with high spatial and spectral resolution, at controlled temperature and in fast-imaging. The apparatus can be used to collect information and chemico-physical maps without the need for sample preparation and alteration, therefore for non-destructive studies and in operating conditions.
In the last years, genetics played a strategic role in the identification of therapeutic targets for complex diseases. Genetic studies identified thousands of variants contributing to disease onset and/or to the influence of measurable features (phenotypes) impacting health. The mechanism of action by which they modulate diseases and phenotypes is still unknown for the vast majority.
It enables a systemic and evolutionary development of people, organisations and territories by overcoming the criticality of traditional approaches, which get stuck because of rationalistic reductions in complexity, as well as lack of motivation. This responds to the social sustainability needs highlighted by the UN 2030 agenda. The methodology is based on 3 pillars:
The Open Chemistry Database, OChemDb, is a web portal for the research and analysis of crystallochemical information relating to organic, inorganic, metallorganic compounds, and provides statistical information on bond distances, bond angles, torsion angles, types of atoms and space groups. To obtain the above information, OChemDb queries a database, appropriately designed, that contains crystalline structures already resolved.
EXPO is a software for the determination of the atomic structure of various materials (organic, metallorganic, inorganic), available in the form of microcrystalline powders, in order to derive the structure-property relationships. EXPO requires the molecular formula of the material, the experimental X-ray diffraction data and, in some cases, the expected molecular geometry.
QUALX is a software for qualitative and semi-quantitative phase analysis of materials (organic, metallorganic, inorganic), available in the form of microcrystalline powders. It uses a database distributed together with the software. QUALX identifies the crystalline chemical phase, one or more of than one, present in a material and determines approximately the weight percentages of each phase present in a mixture.
WSense provides customizable and modular real-time, bi-directional, in-situ monitoring tools capable of sending real-time alarms. It makes possible to monitor the entire water column, on areas that can scale from a few tens of square meters to hundreds or thousands of square meters depending on the number of nodes deployed as needed. The monitoring system is implemented using submarine wireless communication nodes (W-Nodes) integrated with probes to monitor various parameters.
X-ray imaging techniques can work in i) "full-field mode" in which the object to study (or part of it) is completely illuminated by the X-ray beam; ii) "scanning mode" in which an X-ray beam, focused through an opportune optics, illuminates in succession contiguous areas of the sample under examination, and the transmitted wave is measured by a detector placed at a proper distance from it. One of these X-ray scanning microscopes is available at the facility (X-ray MicroImaging, XMIL@b) of the Institute of Crystallography (CNR-Bari).