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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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.
Lifeshell is an anti-seismic furniture construction concept, which can be used for making wardrobes, tables, desktops, beds. It’s made by timber based panels: highly resistant and flexible, relatively lightweight and inexpensive. Lifeshell benefits from the natural wood elasticity and from smart connections for dissipating the great impact energies occurring during an earthquake. Lifeshell has been designed for resisting partial building collapses, and to provide a safe shell where inhabitants can find refuge.
To the enterprises working in the field of nutrition/nutraceutics and drug development/repositioning, we offer the know-how and state-of-the-art instrumentation of our labs to monitor multiple relevant biological parameters at the cellular level: metabolic activity, vitality, health, but also stress and toxicity. The use of advanced imaging techniques based on fluorescent/bioluminescent probes together with the availability of time-lapse acquisitions, guarantee the cutting-edge analysis of different biological parameters over time.
The study of proteins is typically limited to notions, sometimes with the aid of virtual 3D models, obtained from visualization programs. A knowledge of this type, although useful, limits the ability to acquire a more direct knowledge, almost never leads to awareness of dimensions, and is particularly difficult for those who do not have a strong capacity for three-dimensional imagination.
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.
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).